| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 64.4 | Low | 82.5 | Confident | 128 Ų | 128 | 54.5 Ų | 54.5 | 63% | 0.631 | 32% | 0.315 | S | S | * | . | 0 | 136.4 | 0 | -135.3 | -178.1 | -163.5 | 0 | 0 | 108.3 | Y3 V34 S102 | M1-Y3 HydrophobicContact CB-CE2 4.49Å; M1-V34 HydrophobicContact CE-CG1 3.67Å; M1-V34 HydrophobicContact SD-CG1 4.32Å; M1-S102 WeakPolarHBondContact O-CB 3.36Å; M1-S102 PolarHBondContact O-OG 3.48Å | |||
| 2 | L | 75.7 | Confident | 82.8 | Confident | 9 Ų | 9 | 57.1 Ų | 57.1 | 5% | 0.047 | 33% | 0.327 | C | S | . | . | trans | -107.9 | 145.4 | 175.9 | -78.8 | 155.7 | 0 | 0 | 0 | 109 | V37 L100 S101 T107 V108 V111 | L2-V37 HydrophobicContact CB-CG2 3.91Å; L2-V37 HydrophobicContact CD1-CB 4.01Å; L2-V37 HydrophobicContact CD1-CG2 4.09Å; L2-L100 HydrophobicContact CD2-CB 4.16Å; L2-S101 CarbonylContact C-O 3.55Å; L2-S101 WeakPolarHBondContact CA-O 3.46Å; L2-T107 HydrophobicContact CD1-CG2 4.2Å; L2-T107 HydrophobicContact CD2-CG2 4.47Å; L2-T107 HydrophobicContact CG-CG2 3.88Å; L2-V108 HydrophobicContact CD2-CG2 4.28Å; L2-V111 HydrophobicContact CD1-CB 4.44Å; L2-V111 HydrophobicContact CD1-CG2 3.65Å | ||
| 3 | Y | 78.4 | Confident | 83 | Confident | 54 Ų | 54 | 53.5 Ų | 53.5 | 21% | 0.212 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 126.6 | 178.1 | -60.4 | -91.3 | 0 | 0 | 0 | 108.4 | M1 C5 F32 V34 L100 S101 P103 | M1-Y3 HydrophobicContact CB-CE2 4.49Å; Y3-C5 PolarHBondContact O-N 3.18Å; Y3-F32 HydrophobicContact CD1-CB 4.35Å; Y3-F32 HydrophobicContact CD1-CD1 4.39Å; Y3-F32 HydrophobicContact CG-CD1 4.36Å; Y3-V34 HydrophobicContact CD1-CG2 4.27Å; Y3-V34 HydrophobicContact CE1-CG2 3.79Å; Y3-L100 CarbonylContact O-C 3.48Å; Y3-L100 VanDerWaalsContact O-CA 3.32Å; Y3-L100 WeakPolarHBondContact O-CA 3.43Å; Y3-S101 PolarHBondContact N-O 2.87Å; Y3-S101 PolarHBondContact O-N 3.28Å; Y3-P103 HydrophobicContact CE2-CG 4.45Å |
| 4 | Y | 83.1 | Confident | 83.4 | Confident | 41 Ų | 41 | 59.1 Ų | 59.1 | 16% | 0.161 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 119.6 | 177.6 | -176.3 | -116.2 | 0 | 0 | 0 | 110.4 | G6 C7 L49 H98 V99 L100 | Y4-G6 WeakPolarHBondContact CE2-O 3.18Å; Y4-G6 PolarHBondContact OH-O 3.42Å; Y4-C7 WeakPolarHBondContact OH-CB 3.48Å; Y4-L49 HydrophobicContact CD1-CD1 4.29Å; Y4-L49 HydrophobicContact CD2-CD1 3.7Å; Y4-L49 HydrophobicContact CE1-CD1 4.49Å; Y4-L49 HydrophobicContact CE2-CD1 3.93Å; Y4-L49 HydrophobicContact CG-CD1 3.89Å; Y4-H98 HydrophobicContact CE2-CB 4.06Å; Y4-H98 AromaticContact CE2-ND1 3.79Å; Y4-H98 AromaticContact CZ-ND1 3.68Å; Y4-H98 PolarHBondContact OH-CE1 3.43Å; Y4-H98 PolarHBondContact OH-ND1 3.41Å; Y4-V99 WeakPolarHBondContact CD2-O 3.33Å; Y4-L100 HydrophobicContact CD2-CD2 3.92Å; Y4-L100 HydrophobicContact CD2-CG 4.28Å; Y4-L100 HydrophobicContact CG-CD2 4.48Å |
| 5 | C | 81 | Confident | 83.8 | Confident | 14 Ų | 14 | 59.8 Ų | 59.8 | 10% | 0.095 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | -8.3 | -178.3 | -62.1 | 0 | 0 | 0 | 0 | 112.9 | Y3 L26 V99 S101 | Y3-C5 PolarHBondContact O-N 3.18Å; C5-L26 HydrophobicContact CB-CB 4.27Å; C5-V99 HydrophobicContact CB-CB 4.12Å; C5-V99 HydrophobicContact CB-CG1 4.02Å; C5-V99 WeakPolarHBondContact CB-O 3.49Å; C5-V99 PolarHBondContact N-O 3.27Å; C5-S101 PolarHBondContact SG-OG 3.48Å |
| 6 | G | 84.1 | Confident | 84.1 | Confident | 18 Ų | 18 | 62.3 Ų | 62.3 | 19% | 0.186 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 112.8 | -168.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y4 V99 | Y4-G6 WeakPolarHBondContact CE2-O 3.18Å; Y4-G6 PolarHBondContact OH-O 3.42Å; G6-V99 PolarHBondContact O-N 3.31Å |
| 7 | C | 87.6 | Confident | 84.4 | Confident | 53 Ų | 53 | 64 Ų | 64 | 36% | 0.358 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 157.5 | 176 | 62.9 | 0 | 0 | 0 | 0 | 112.4 | Y4 C97 | Y4-C7 WeakPolarHBondContact OH-CB 3.48Å; C7-C97 CarbonylContact C-O 3.5Å; C7-C97 WeakPolarHBondContact CA-O 3.41Å; C7-C97 WeakPolarHBondContact CB-O 3.39Å |
| 8 | A | 89.9 | Confident | 84.6 | Confident | 24 Ų | 24 | 62.1 Ų | 62.1 | 20% | 0.198 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 150.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | I22 Q96 C97 | A8-I22 HydrophobicContact CB-CD1 4.24Å; A8-I22 HydrophobicContact CB-CG1 4.13Å; A8-I22 HydrophobicContact CB-CG2 3.75Å; A8-Q96 CarbonylContact O-C 3.44Å; A8-Q96 WeakPolarHBondContact O-CA 3.43Å; A8-C97 PolarHBondContact N-O 2.81Å; A8-C97 PolarHBondContact O-N 3.34Å |
| 9 | Q | 88.7 | Confident | 84.9 | Confident | 145 Ų | 145 | 58.9 Ų | 58.9 | 68% | 0.678 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 142.9 | 172.5 | -82.5 | -179.6 | -27.4 | 0 | 0 | 111 | C94 Y95 Q96 | Q9-C94 PolarHBondContact NE2-SG 3.19Å; Q9-Y95 WeakPolarHBondContact CA-O 3.48Å; Q9-Q96 HydrophobicContact CG-CG 4.39Å |
| 10 | I | 89.6 | Confident | 85 | Confident | 11 Ų | 11 | 57.6 Ų | 57.6 | 6% | 0.056 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 129.4 | 176.8 | -167.8 | 173.2 | 0 | 0 | 0 | 109.7 | N12 A18 I19 I22 T82 Y95 C97 | I10-N12 VanDerWaalsContact CD1-O 3.27Å; I10-N12 WeakPolarHBondContact CD1-O 3.15Å; I10-N12 WeakPolarHBondContact CG1-O 3.33Å; I10-A18 HydrophobicContact CD1-CB 3.94Å; I10-A18 HydrophobicContact CG1-CB 4.18Å; I10-I19 HydrophobicContact CD1-CD1 4.47Å; I10-I19 HydrophobicContact CD1-CG1 3.56Å; I10-I22 HydrophobicContact CB-CD1 3.94Å; I10-I22 HydrophobicContact CD1-CD1 4.1Å; I10-I22 HydrophobicContact CG1-CD1 4.12Å; I10-T82 HydrophobicContact CD1-CG2 4.41Å; I10-T82 HydrophobicContact CG2-CG2 4.06Å; I10-Y95 PolarHBondContact N-O 2.98Å; I10-Y95 WeakPolarHBondContact O-CB 3.47Å; I10-C97 HydrophobicContact CB-CB 4.42Å; I10-C97 HydrophobicContact CG2-CB 4.23Å |
| 11 | A | 85 | Confident | 85.2 | Confident | 102 Ų | 102 | 58.3 Ų | 58.3 | 84% | 0.843 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -71.2 | -35.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 12 | N | 85.8 | Confident | 86.4 | Confident | 86 Ų | 86 | 52.9 Ų | 52.9 | 46% | 0.46 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -124.3 | 109 | 177.8 | -178 | -16.7 | 0 | 0 | 0 | 109.7 | I10 K14 N15 | I10-N12 VanDerWaalsContact CD1-O 3.27Å; I10-N12 WeakPolarHBondContact CD1-O 3.15Å; I10-N12 WeakPolarHBondContact CG1-O 3.33Å; N12-K14 PolarHBondContact O-N 2.93Å; N12-K14 PolarHBondContact OD1-N 3.38Å; N12-K14 VanDerWaalsContact OD1-N 3.12Å; N12-N15 HydrophobicContact CB-CB 3.98Å; N12-N15 PolarHBondContact O-N 2.99Å |
| 13 | P | 86 | Confident | 87 | Confident | 11 Ų | 11 | 52.5 Ų | 52.5 | 7% | 0.071 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -12.7 | -172.4 | 28.1 | -37.1 | 0 | 0 | 0 | 114.2 | V66 F67 T82 Y95 | P13-V66 HydrophobicContact CB-CB 4.13Å; P13-V66 HydrophobicContact CB-CG1 3.99Å; P13-V66 HydrophobicContact CG-CB 4.44Å; P13-V66 HydrophobicContact CG-CG1 3.84Å; P13-F67 WeakPolarHBondContact O-CB 3.4Å; P13-T82 HydrophobicContact CB-CG2 4.25Å; P13-T82 WeakPolarHBondContact CB-OG1 3.26Å; P13-T82 WeakPolarHBondContact O-CG2 3.49Å; P13-T82 PolarHBondContact O-OG1 3.15Å; P13-Y95 HydrophobicContact CB-CD1 3.78Å; P13-Y95 HydrophobicContact CB-CE1 4.28Å; P13-Y95 HydrophobicContact CB-CG 3.93Å; P13-Y95 HydrophobicContact CG-CD1 3.67Å; P13-Y95 HydrophobicContact CG-CD2 4.15Å; P13-Y95 HydrophobicContact CG-CE1 3.68Å; P13-Y95 HydrophobicContact CG-CE2 4.18Å; P13-Y95 HydrophobicContact CG-CG 3.91Å |
| 14 | K | 88.3 | Confident | 87.3 | Confident | 131 Ų | 131 | 54.7 Ų | 54.7 | 57% | 0.57 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.6 | 2.1 | 178 | -61 | -175.4 | -179.4 | -177.6 | 0 | 113.1 | N12 E16 F67 | N12-K14 PolarHBondContact O-N 2.93Å; N12-K14 PolarHBondContact OD1-N 3.38Å; N12-K14 VanDerWaalsContact OD1-N 3.12Å; K14-E16 PolarHBondContact O-N 3.07Å; K14-F67 HydrophobicContact CG-CB 4.2Å; K14-F67 HydrophobicContact CG-CD2 4.1Å; K14-F67 HydrophobicContact CG-CG 4.27Å |
| 15 | N | 89.4 | Confident | 87.5 | Confident | 70 Ų | 70 | 57.6 Ų | 57.6 | 37% | 0.374 | 34% | 0.339 | S | S | . | . | trans | -76.7 | 96.1 | 178.8 | -175.9 | -18.1 | 0 | 0 | 0 | 110.7 | N12 S17 A18 I19 | N12-N15 HydrophobicContact CB-CB 3.98Å; N12-N15 PolarHBondContact O-N 2.99Å; N15-S17 VanDerWaalsContact C-N 3.26Å; N15-S17 PolarHBondContact O-N 3.4Å; N15-S17 WeakPolarHBondContact OD1-CB 3.47Å; N15-S17 PolarHBondContact OD1-N 2.84Å; N15-S17 VanDerWaalsContact OD1-N 3.09Å; N15-A18 HydrophobicContact CB-CB 4.02Å; N15-A18 PolarHBondContact O-N 3.05Å; N15-A18 VanDerWaalsContact O-N 3.15Å; N15-A18 PolarHBondContact OD1-N 2.97Å; N15-I19 WeakPolarHBondContact O-CG1 3.35Å; N15-I19 PolarHBondContact O-N 3.02Å | ||
| 16 | E | 88.5 | Confident | 87.6 | Confident | 100 Ų | 100 | 57.6 Ų | 57.6 | 47% | 0.467 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -56.1 | -32.2 | -179.5 | -75.9 | -159.4 | -158.5 | 0 | 0 | 115.6 | K14 A20 F67 K69 | K14-E16 PolarHBondContact O-N 3.07Å; E16-A20 WeakPolarHBondContact O-CB 3.27Å; E16-A20 PolarHBondContact O-N 3.34Å; E16-F67 HydrophobicContact CG-CE1 4.08Å; E16-F67 HydrophobicContact CG-CZ 4.15Å; E16-K69 HydrophobicContact CB-CD 4.33Å; E16-K69 HydrophobicContact CG-CD 3.99Å; E16-K69 IonicContact OE2-NZ 3Å; E16-K69 PolarHBondContact OE2-NZ 3.44Å |
| 17 | S | 88.8 | Confident | 87.3 | Confident | 91 Ų | 91 | 58.8 Ų | 58.8 | 64% | 0.636 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -73.2 | -41.9 | 178.4 | -177.8 | 0 | 0 | 0 | 0 | 110.9 | N15 A20 S21 | N15-S17 VanDerWaalsContact C-N 3.26Å; N15-S17 PolarHBondContact O-N 3.4Å; N15-S17 WeakPolarHBondContact OD1-CB 3.47Å; N15-S17 PolarHBondContact OD1-N 2.84Å; N15-S17 VanDerWaalsContact OD1-N 3.09Å; S17-A20 PolarHBondContact O-N 3.16Å; S17-S21 PolarHBondContact O-N 3.24Å |
| 18 | A | 89.3 | Confident | 86.5 | Confident | 30 Ų | 30 | 61 Ų | 61 | 25% | 0.248 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -64.2 | -41.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | I10 N15 A20 S21 I22 | I10-A18 HydrophobicContact CD1-CB 3.94Å; I10-A18 HydrophobicContact CG1-CB 4.18Å; N15-A18 HydrophobicContact CB-CB 4.02Å; N15-A18 PolarHBondContact O-N 3.05Å; N15-A18 VanDerWaalsContact O-N 3.15Å; N15-A18 PolarHBondContact OD1-N 2.97Å; A18-A20 PolarHBondContact O-N 3.46Å; A18-S21 WeakPolarHBondContact O-CB 3.36Å; A18-S21 PolarHBondContact O-N 3.23Å; A18-I22 WeakPolarHBondContact O-CG1 3.49Å; A18-I22 PolarHBondContact O-N 2.8Å |
| 19 | I | 89 | Confident | 85.2 | Confident | 1 Ų | 1 | 66 Ų | 66 | 1% | 0.005 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -59.7 | -45.2 | 173.9 | -65.1 | 169.5 | 0 | 0 | 0 | 110.7 | I10 N15 S21 I22 I23 F67 A80 T82 | I10-I19 HydrophobicContact CD1-CD1 4.47Å; I10-I19 HydrophobicContact CD1-CG1 3.56Å; N15-I19 WeakPolarHBondContact O-CG1 3.35Å; N15-I19 PolarHBondContact O-N 3.02Å; I19-S21 VanDerWaalsContact C-N 3.32Å; I19-S21 PolarHBondContact O-N 2.99Å; I19-I22 PolarHBondContact O-N 3.33Å; I19-I23 HydrophobicContact CG2-CD1 3.98Å; I19-I23 HydrophobicContact CG2-CG1 4.41Å; I19-I23 VanDerWaalsContact O-CG1 3.31Å; I19-I23 WeakPolarHBondContact O-CG1 3.16Å; I19-I23 PolarHBondContact O-N 2.91Å; I19-F67 HydrophobicContact CD1-CD1 3.69Å; I19-F67 HydrophobicContact CD1-CE1 4.03Å; I19-A80 HydrophobicContact CG2-CB 3.64Å; I19-T82 HydrophobicContact CD1-CG2 4.02Å; I19-T82 HydrophobicContact CG1-CG2 4.25Å |
| 20 | A | 88.7 | Confident | 83.7 | Confident | 32 Ų | 32 | 60.2 Ų | 60.2 | 26% | 0.264 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.2 | -38.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | E16 S17 A18 I23 N24 | E16-A20 WeakPolarHBondContact O-CB 3.27Å; E16-A20 PolarHBondContact O-N 3.34Å; S17-A20 PolarHBondContact O-N 3.16Å; A18-A20 PolarHBondContact O-N 3.46Å; A20-I23 PolarHBondContact O-N 2.93Å; A20-N24 PolarHBondContact O-N 3.17Å; A20-N24 PolarHBondContact O-ND2 3.25Å |
| 21 | S | 88.9 | Confident | 81.9 | Confident | 73 Ų | 73 | 65.8 Ų | 65.8 | 51% | 0.51 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.4 | -42.1 | 174.1 | -166.7 | 0 | 0 | 0 | 0 | 112.2 | S17 A18 I19 N24 Q25 | S17-S21 PolarHBondContact O-N 3.24Å; A18-S21 WeakPolarHBondContact O-CB 3.36Å; A18-S21 PolarHBondContact O-N 3.23Å; I19-S21 VanDerWaalsContact C-N 3.32Å; I19-S21 PolarHBondContact O-N 2.99Å; S21-N24 PolarHBondContact O-N 3.39Å; S21-Q25 WeakPolarHBondContact O-CB 3.42Å; S21-Q25 PolarHBondContact O-N 3.5Å |
| 22 | I | 88.8 | Confident | 80.5 | Confident | 14 Ų | 14 | 65.3 Ų | 65.3 | 7% | 0.072 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -64.2 | -43 | 176.6 | -69.7 | 168.1 | 0 | 0 | 0 | 110.7 | A8 I10 A18 I19 N24 Q25 L26 C97 V99 | A8-I22 HydrophobicContact CB-CD1 4.24Å; A8-I22 HydrophobicContact CB-CG1 4.13Å; A8-I22 HydrophobicContact CB-CG2 3.75Å; I10-I22 HydrophobicContact CB-CD1 3.94Å; I10-I22 HydrophobicContact CD1-CD1 4.1Å; I10-I22 HydrophobicContact CG1-CD1 4.12Å; A18-I22 WeakPolarHBondContact O-CG1 3.49Å; A18-I22 PolarHBondContact O-N 2.8Å; I19-I22 PolarHBondContact O-N 3.33Å; I22-N24 PolarHBondContact O-N 2.79Å; I22-Q25 PolarHBondContact O-N 3.25Å; I22-L26 HydrophobicContact CG2-CD1 3.76Å; I22-L26 HydrophobicContact CG2-CG 4.32Å; I22-L26 WeakPolarHBondContact O-CB 3.17Å; I22-L26 WeakPolarHBondContact O-CG 3.49Å; I22-L26 PolarHBondContact O-N 3.37Å; I22-C97 HydrophobicContact CD1-CB 3.84Å; I22-C97 HydrophobicContact CG2-CB 4.23Å; I22-V99 HydrophobicContact CG2-CG2 4.12Å |
| 23 | I | 87.9 | Confident | 79 | Confident | 1 Ų | 1 | 65.8 Ų | 65.8 | 1% | 0.005 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -56.4 | -53 | 174.3 | -68 | 168.1 | 0 | 0 | 0 | 109.3 | I19 A20 Q25 L26 C27 F78 A80 V99 | I19-I23 HydrophobicContact CG2-CD1 3.98Å; I19-I23 HydrophobicContact CG2-CG1 4.41Å; I19-I23 VanDerWaalsContact O-CG1 3.31Å; I19-I23 WeakPolarHBondContact O-CG1 3.16Å; I19-I23 PolarHBondContact O-N 2.91Å; A20-I23 PolarHBondContact O-N 2.93Å; I23-Q25 VanDerWaalsContact C-N 3.32Å; I23-Q25 PolarHBondContact O-N 2.79Å; I23-L26 PolarHBondContact O-N 3.49Å; I23-C27 WeakPolarHBondContact O-CB 3.43Å; I23-C27 PolarHBondContact O-N 2.86Å; I23-C27 PolarHBondContact O-SG 3.44Å; I23-F78 HydrophobicContact CG2-CB 3.97Å; I23-F78 HydrophobicContact CG2-CD1 4.1Å; I23-F78 HydrophobicContact CG2-CD2 4.05Å; I23-F78 HydrophobicContact CG2-CG 3.76Å; I23-A80 HydrophobicContact CD1-CB 3.86Å; I23-A80 HydrophobicContact CG1-CB 4.06Å; I23-V99 HydrophobicContact CG1-CG1 4.04Å; I23-V99 HydrophobicContact CG1-CG2 3.9Å; I23-V99 HydrophobicContact CG2-CG1 4.48Å |
| 24 | N | 85.9 | Confident | 77.3 | Confident | 100 Ų | 100 | 66.7 Ų | 66.7 | 54% | 0.535 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -60.1 | -39.5 | -178.9 | -73.5 | -27.8 | 0 | 0 | 0 | 113.2 | A20 S21 I22 S28 | A20-N24 PolarHBondContact O-N 3.17Å; A20-N24 PolarHBondContact O-ND2 3.25Å; S21-N24 PolarHBondContact O-N 3.39Å; I22-N24 PolarHBondContact O-N 2.79Å; N24-S28 PolarHBondContact O-N 2.78Å |
| 25 | Q | 86 | Confident | 75.9 | Confident | 102 Ų | 102 | 60.6 Ų | 60.6 | 48% | 0.477 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -65.4 | -50.1 | 177.8 | -175.5 | -178.2 | -19.3 | 0 | 0 | 111.7 | S21 I22 I23 C27 S28 | S21-Q25 WeakPolarHBondContact O-CB 3.42Å; S21-Q25 PolarHBondContact O-N 3.5Å; I22-Q25 PolarHBondContact O-N 3.25Å; I23-Q25 VanDerWaalsContact C-N 3.32Å; I23-Q25 PolarHBondContact O-N 2.79Å; Q25-C27 VanDerWaalsContact C-N 3.26Å; Q25-C27 PolarHBondContact O-N 3.47Å; Q25-S28 PolarHBondContact O-N 2.74Å; Q25-S28 PolarHBondContact O-OG 3.35Å |
| 26 | L | 83.5 | Confident | 74.7 | Confident | 15 Ų | 15 | 60.5 Ų | 60.5 | 8% | 0.079 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -68.6 | -26.4 | 179.8 | -67.1 | 175.6 | 0 | 0 | 0 | 112.4 | C5 I22 I23 S28 E29 A30 V99 | C5-L26 HydrophobicContact CB-CB 4.27Å; I22-L26 HydrophobicContact CG2-CD1 3.76Å; I22-L26 HydrophobicContact CG2-CG 4.32Å; I22-L26 WeakPolarHBondContact O-CB 3.17Å; I22-L26 WeakPolarHBondContact O-CG 3.49Å; I22-L26 PolarHBondContact O-N 3.37Å; I23-L26 PolarHBondContact O-N 3.49Å; L26-S28 VanDerWaalsContact C-N 3.33Å; L26-S28 PolarHBondContact O-N 2.83Å; L26-E29 PolarHBondContact O-N 2.81Å; L26-A30 PolarHBondContact O-N 3.47Å; L26-V99 HydrophobicContact CD1-CB 3.98Å; L26-V99 HydrophobicContact CD1-CG2 3.72Å |
| 27 | C | 77.7 | Confident | 74 | Confident | 42 Ų | 42 | 56.9 Ų | 56.9 | 28% | 0.284 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.2 | -37.2 | 173 | -71.8 | 0 | 0 | 0 | 0 | 112.8 | I23 Q25 E29 F78 | I23-C27 WeakPolarHBondContact O-CB 3.43Å; I23-C27 PolarHBondContact O-N 2.86Å; I23-C27 PolarHBondContact O-SG 3.44Å; Q25-C27 VanDerWaalsContact C-N 3.26Å; Q25-C27 PolarHBondContact O-N 3.47Å; C27-E29 VanDerWaalsContact C-N 3.3Å; C27-E29 PolarHBondContact O-N 3.49Å; C27-F78 HydrophobicContact CB-CZ 4.45Å; C27-F78 WeakPolarHBondContact SG-CE1 3.41Å; C27-F78 WeakPolarHBondContact SG-CZ 3.47Å |
| 28 | S | 70.2 | Confident | 73.3 | Confident | 101 Ų | 101 | 56 Ų | 56 | 71% | 0.706 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -74.6 | -18.8 | -179.9 | 50.1 | 0 | 0 | 0 | 0 | 114.1 | N24 Q25 L26 | N24-S28 PolarHBondContact O-N 2.78Å; Q25-S28 PolarHBondContact O-N 2.74Å; Q25-S28 PolarHBondContact O-OG 3.35Å; L26-S28 VanDerWaalsContact C-N 3.33Å; L26-S28 PolarHBondContact O-N 2.83Å |
| 29 | E | 63.3 | Low | 72.6 | Confident | 129 Ų | 129 | 55.6 Ų | 55.6 | 60% | 0.603 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -108.6 | -2.1 | -172.9 | -66.9 | 179.3 | 177.9 | 0 | 0 | 113.8 | L26 C27 T31 | L26-E29 PolarHBondContact O-N 2.81Å; C27-E29 VanDerWaalsContact C-N 3.3Å; C27-E29 PolarHBondContact O-N 3.49Å; E29-T31 PolarHBondContact O-N 2.79Å |
| 30 | A | 56.5 | Low | 72 | Confident | 23 Ų | 23 | 56 Ų | 56 | 19% | 0.19 | 33% | 0.331 | C | S | . | . | trans | -66.5 | 97.3 | -166.9 | 0 | 0 | 0 | 0 | 0 | 114 | L26 F32 | L26-A30 PolarHBondContact O-N 3.47Å; A30-F32 HydrophobicContact CB-CD1 4.24Å; A30-F32 HydrophobicContact CB-CE1 3.62Å; A30-F32 HydrophobicContact CB-CE2 4.32Å; A30-F32 HydrophobicContact CB-CZ 3.67Å; A30-F32 WeakPolarHBondContact O-CE2 3.33Å; A30-F32 PolarHBondContact O-N 3.22Å | ||
| 31 | T | 52.9 | Low | 71.2 | Confident | 127 Ų | 127 | 62.1 Ų | 62.1 | 78% | 0.779 | 35% | 0.352 | S | S | * | . | trans | -71.1 | 101.8 | 149.7 | 28 | 0 | 0 | 0 | 0 | 108.2 | E29 T33 | E29-T31 PolarHBondContact O-N 2.79Å; T31-T33 PolarHBondContact O-N 3.33Å; T31-T33 VanDerWaalsContact O-N 3.08Å | ||
| 32 | F | 55.1 | Low | 70.4 | Confident | 92 Ų | 92 | 61 Ų | 61 | 40% | 0.404 | 34% | 0.342 | S | S | . | . | trans | -66.7 | 104.2 | -179 | -59.7 | -71.7 | 0 | 0 | 0 | 111.1 | Y3 A30 | Y3-F32 HydrophobicContact CD1-CB 4.35Å; Y3-F32 HydrophobicContact CD1-CD1 4.39Å; Y3-F32 HydrophobicContact CG-CD1 4.36Å; A30-F32 HydrophobicContact CB-CD1 4.24Å; A30-F32 HydrophobicContact CB-CE1 3.62Å; A30-F32 HydrophobicContact CB-CE2 4.32Å; A30-F32 HydrophobicContact CB-CZ 3.67Å; A30-F32 WeakPolarHBondContact O-CE2 3.33Å; A30-F32 PolarHBondContact O-N 3.22Å | ||
| 33 | T | 53.7 | Low | 69.8 | Low | 97 Ų | 97 | 62.3 Ų | 62.3 | 60% | 0.595 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 117.2 | 157.5 | 33 | 0 | 0 | 0 | 0 | 107.9 | T31 S35 | T31-T33 PolarHBondContact O-N 3.33Å; T31-T33 VanDerWaalsContact O-N 3.08Å; T33-S35 PolarHBondContact O-N 2.96Å |
| 34 | V | 52 | Low | 69.1 | Low | 29 Ų | 29 | 71.4 Ų | 71.4 | 18% | 0.176 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.9 | 132.6 | -179.6 | 167.2 | 0 | 0 | 0 | 0 | 108.7 | M1 Y3 D51 E52 | M1-V34 HydrophobicContact CE-CG1 3.67Å; M1-V34 HydrophobicContact SD-CG1 4.32Å; Y3-V34 HydrophobicContact CD1-CG2 4.27Å; Y3-V34 HydrophobicContact CE1-CG2 3.79Å; V34-D51 WeakPolarHBondContact O-CA 3.48Å; V34-E52 HydrophobicContact CB-CG 3.46Å; V34-E52 VanDerWaalsContact CB-CG 3.46Å; V34-E52 VanDerWaalsContact CB-OE1 3.26Å; V34-E52 WeakPolarHBondContact CB-OE1 3.34Å; V34-E52 HydrophobicContact CG1-CG 3.88Å; V34-E52 HydrophobicContact CG2-CG 4.19Å; V34-E52 WeakPolarHBondContact CG2-OE1 3.26Å; V34-E52 PolarHBondContact O-N 2.77Å |
| 35 | S | 56.9 | Low | 68.7 | Low | 4 Ų | 4 | 71 Ų | 71 | 3% | 0.028 | 39% | 0.386 | C | S | . | . | trans | -150.1 | 122.8 | 171 | -54.5 | 0 | 0 | 0 | 0 | 113.7 | T33 F50 | T33-S35 PolarHBondContact O-N 2.96Å; S35-F50 CarbonylContact C-O 3.59Å; S35-F50 VanDerWaalsContact C-O 3.25Å; S35-F50 WeakPolarHBondContact CA-O 3.44Å; S35-F50 WeakPolarHBondContact CB-O 3.38Å; S35-F50 PolarHBondContact OG-O 3.42Å | ||
| 36 | S | 66.1 | Low | 68.6 | Low | 68 Ų | 68 | 67.2 Ų | 67.2 | 48% | 0.476 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 135.8 | 172.1 | 57.5 | 0 | 0 | 0 | 0 | 110.3 | F50 | S36-F50 PolarHBondContact N-O 2.74Å; S36-F50 PolarHBondContact O-N 2.85Å |
| 37 | V | 72.2 | Confident | 68.6 | Low | 24 Ų | 24 | 66.5 Ų | 66.5 | 15% | 0.145 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 127.7 | 174.5 | -177 | 0 | 0 | 0 | 0 | 109.2 | L2 V39 V47 R48 L49 L100 | L2-V37 HydrophobicContact CB-CG2 3.91Å; L2-V37 HydrophobicContact CD1-CB 4.01Å; L2-V37 HydrophobicContact CD1-CG2 4.09Å; V37-V39 HydrophobicContact CG1-CG2 4.32Å; V37-V47 HydrophobicContact CG1-CG1 3.77Å; V37-R48 WeakPolarHBondContact CA-O 3.32Å; V37-L49 HydrophobicContact CB-CD2 4.14Å; V37-L49 HydrophobicContact CG1-CD2 4.02Å; V37-L49 HydrophobicContact CG2-CD2 3.35Å; V37-L100 HydrophobicContact CG2-CD1 4.22Å; V37-L100 HydrophobicContact CG2-CD2 3.59Å |
| 38 | T | 75.6 | Confident | 68.9 | Low | 72 Ų | 72 | 69.8 Ų | 69.8 | 44% | 0.442 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 119.4 | 167.4 | 26.6 | 0 | 0 | 0 | 0 | 109.1 | V47 R48 F50 | T38-V47 WeakPolarHBondContact O-CA 3.06Å; T38-R48 PolarHBondContact N-O 3.45Å; T38-R48 PolarHBondContact O-N 2.89Å; T38-R48 VanDerWaalsContact O-N 3.13Å; T38-R48 PolarHBondContact OG1-O 2.8Å; T38-F50 WeakPolarHBondContact OG1-CE2 3.34Å |
| 39 | V | 74.5 | Confident | 69.4 | Low | 21 Ų | 21 | 65.1 Ų | 65.1 | 13% | 0.127 | 34% | 0.341 | C | S | . | . | trans | -93.6 | 123.1 | 168.4 | -178.3 | 0 | 0 | 0 | 0 | 108.3 | V37 V47 V111 D114 F115 | V37-V39 HydrophobicContact CG1-CG2 4.32Å; V39-V47 HydrophobicContact CG2-CG1 4.4Å; V39-V111 HydrophobicContact CG2-CG1 3.74Å; V39-D114 HydrophobicContact CB-CB 4.04Å; V39-D114 HydrophobicContact CG1-CB 3.86Å; V39-F115 HydrophobicContact CG1-CD1 4.27Å; V39-F115 HydrophobicContact CG1-CD2 4.48Å; V39-F115 HydrophobicContact CG1-CE1 4.28Å; V39-F115 HydrophobicContact CG1-CE2 4.47Å; V39-F115 HydrophobicContact CG1-CG 4.37Å; V39-F115 HydrophobicContact CG1-CZ 4.39Å; V39-F115 HydrophobicContact CG2-CD2 4.27Å; V39-F115 HydrophobicContact CG2-CE2 3.75Å; V39-F115 HydrophobicContact CG2-CZ 3.99Å | ||
| 40 | P | 74.9 | Confident | 70.1 | Confident | 10 Ų | 10 | 61.4 Ų | 61.4 | 7% | 0.065 | 32% | 0.323 | C | S | . | . | trans | -58 | 165.2 | 175.7 | -25.1 | 29.3 | 0 | 0 | 0 | 114.8 | E45 S46 I62 V118 | P40-E45 HydrophobicContact CB-CB 3.33Å; P40-E45 HydrophobicContact CB-CG 4.31Å; P40-E45 WeakPolarHBondContact CB-OE2 3.25Å; P40-E45 HydrophobicContact CG-CB 3.44Å; P40-E45 VanDerWaalsContact CG-CB 3.44Å; P40-S46 VanDerWaalsContact CG-C 3.43Å; P40-S46 WeakPolarHBondContact CG-O 3.35Å; P40-I62 HydrophobicContact CB-CD1 3.72Å; P40-I62 HydrophobicContact CG-CD1 3.63Å; P40-I62 HydrophobicContact CG-CG1 4.21Å; P40-V118 WeakPolarHBondContact O-CG2 3.45Å | ||
| 41 | K | 72 | Confident | 71.1 | Confident | 160 Ų | 160 | 62.7 Ų | 62.7 | 70% | 0.696 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -99.5 | -6.9 | 171 | -65.4 | -174.6 | 179.4 | 180 | 0 | 114 | Q121 | K41-Q121 PolarHBondContact O-NE2 3.21Š|
| 42 | T | 73.7 | Confident | 71.9 | Confident | 49 Ų | 49 | 63.5 Ų | 63.5 | 30% | 0.301 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -127.2 | 154.5 | -175 | 68.3 | 0 | 0 | 0 | 0 | 111.2 | Q44 E45 | T42-Q44 PolarHBondContact O-N 2.72Å; T42-E45 WeakPolarHBondContact OG1-CG 3.48Å; T42-E45 PolarHBondContact OG1-OE1 2.97Å |
| 43 | L | 74.9 | Confident | 72.8 | Confident | 43 Ų | 43 | 66.8 Ų | 66.8 | 23% | 0.225 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -16.8 | 180 | -76.6 | 159.7 | 0 | 0 | 0 | 114.3 | I62 V118 Q121 K122 | L43-I62 HydrophobicContact CD2-CG2 4.18Å; L43-V118 HydrophobicContact CD2-CG1 3.92Å; L43-V118 HydrophobicContact CG-CG1 4.02Å; L43-Q121 HydrophobicContact CD1-CB 4.07Å; L43-K122 HydrophobicContact CD1-CB 4.03Å; L43-K122 HydrophobicContact CD1-CG 4.42Å; L43-K122 HydrophobicContact CD2-CB 3.99Å; L43-K122 HydrophobicContact CD2-CD 4.42Å; L43-K122 HydrophobicContact CD2-CG 4.27Å |
| 44 | Q | 73.1 | Confident | 73.6 | Confident | 191 Ų | 191 | 66.8 Ų | 66.8 | 89% | 0.893 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -8.5 | -175.6 | -69.3 | 171.3 | -21.6 | 0 | 0 | 113 | T42 | T42-Q44 PolarHBondContact O-N 2.72Š|
| 45 | E | 79 | Confident | 74.5 | Confident | 91 Ų | 91 | 68.7 Ų | 68.7 | 43% | 0.425 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -101.5 | 173.4 | -175.9 | -76.2 | 174.5 | -135.5 | 0 | 0 | 112.5 | P40 T42 I62 | P40-E45 HydrophobicContact CB-CB 3.33Å; P40-E45 HydrophobicContact CB-CG 4.31Å; P40-E45 WeakPolarHBondContact CB-OE2 3.25Å; P40-E45 HydrophobicContact CG-CB 3.44Å; P40-E45 VanDerWaalsContact CG-CB 3.44Å; T42-E45 WeakPolarHBondContact OG1-CG 3.48Å; T42-E45 PolarHBondContact OG1-OE1 2.97Å; E45-I62 PolarHBondContact O-N 3.34Å; E45-I62 VanDerWaalsContact O-N 3.13Å |
| 46 | S | 82.8 | Confident | 75.5 | Confident | 23 Ų | 23 | 73 Ų | 73 | 16% | 0.161 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 141.4 | -175.6 | 23.7 | 0 | 0 | 0 | 0 | 111.2 | P40 R48 S59 F60 | P40-S46 VanDerWaalsContact CG-C 3.43Å; P40-S46 WeakPolarHBondContact CG-O 3.35Å; S46-R48 PolarHBondContact O-N 3.42Å; S46-S59 VanDerWaalsContact CB-OG 3.23Å; S46-S59 WeakPolarHBondContact CB-OG 3.35Å; S46-S59 PolarHBondContact OG-OG 3.32Å; S46-F60 CarbonylContact C-O 3.5Å; S46-F60 VanDerWaalsContact CA-O 3.3Å; S46-F60 WeakPolarHBondContact CA-O 3.46Å |
| 47 | V | 83.4 | Confident | 75.9 | Confident | 0 Ų | 0 | 73.8 Ų | 73.8 | 0% | 0 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 118.5 | 169.5 | -178.6 | 0 | 0 | 0 | 0 | 108 | V37 T38 V39 S59 F60 I62 I65 F115 | V37-V47 HydrophobicContact CG1-CG1 3.77Å; T38-V47 WeakPolarHBondContact O-CA 3.06Å; V39-V47 HydrophobicContact CG2-CG1 4.4Å; V47-S59 CarbonylContact O-C 3.25Å; V47-S59 WeakPolarHBondContact O-CA 3.26Å; V47-F60 HydrophobicContact CB-CB 4.37Å; V47-F60 PolarHBondContact N-O 3.46Å; V47-F60 PolarHBondContact O-N 3.22Å; V47-I62 HydrophobicContact CG2-CG1 4.06Å; V47-I65 HydrophobicContact CG2-CD1 3.79Å; V47-F115 HydrophobicContact CG1-CZ 4.36Å; V47-F115 HydrophobicContact CG2-CE1 3.65Å; V47-F115 HydrophobicContact CG2-CZ 3.65Å |
| 48 | R | 84.4 | Confident | 76.1 | Confident | 112 Ų | 112 | 73.3 Ų | 73.3 | 42% | 0.423 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 134.5 | -175.9 | -66.9 | 178.8 | -167.1 | 167.6 | 4.2 | 111.1 | V37 T38 S46 F50 L56 G58 | V37-R48 WeakPolarHBondContact CA-O 3.32Å; T38-R48 PolarHBondContact N-O 3.45Å; T38-R48 PolarHBondContact O-N 2.89Å; T38-R48 VanDerWaalsContact O-N 3.13Å; T38-R48 PolarHBondContact OG1-O 2.8Å; S46-R48 PolarHBondContact O-N 3.42Å; R48-F50 HydrophobicContact CB-CD2 4.47Å; R48-F50 HydrophobicContact CB-CE2 3.76Å; R48-F50 HydrophobicContact CB-CZ 4.06Å; R48-L56 HydrophobicContact CB-CD1 3.6Å; R48-L56 HydrophobicContact CG-CD1 3.79Å; R48-G58 CarbonylContact C-O 3.45Å; R48-G58 WeakPolarHBondContact CA-O 3.29Å |
| 49 | L | 81.3 | Confident | 76.5 | Confident | 3 Ų | 3 | 72.3 Ų | 72.3 | 2% | 0.016 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 127.9 | 173.3 | -54.7 | -178.8 | 0 | 0 | 0 | 108.7 | Y4 V37 L56 V57 G58 F60 L100 | Y4-L49 HydrophobicContact CD1-CD1 4.29Å; Y4-L49 HydrophobicContact CD2-CD1 3.7Å; Y4-L49 HydrophobicContact CE1-CD1 4.49Å; Y4-L49 HydrophobicContact CE2-CD1 3.93Å; Y4-L49 HydrophobicContact CG-CD1 3.89Å; V37-L49 HydrophobicContact CB-CD2 4.14Å; V37-L49 HydrophobicContact CG1-CD2 4.02Å; V37-L49 HydrophobicContact CG2-CD2 3.35Å; L49-L56 CarbonylContact O-C 3.56Å; L49-V57 HydrophobicContact CB-CB 4.45Å; L49-V57 PolarHBondContact O-N 2.8Å; L49-G58 PolarHBondContact N-O 3.2Å; L49-G58 PolarHBondContact O-N 3.48Å; L49-F60 HydrophobicContact CD1-CE2 3.67Å; L49-F60 HydrophobicContact CD1-CZ 4.43Å; L49-F60 HydrophobicContact CG-CE2 4.03Å; L49-L100 HydrophobicContact CD2-CD2 4.08Å |
| 50 | F | 78.2 | Confident | 77.1 | Confident | 51 Ų | 51 | 72.3 Ų | 72.3 | 22% | 0.224 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 134.1 | 179.2 | -63.4 | -88.1 | 0 | 0 | 0 | 111.5 | S35 S36 T38 R48 C55 L56 | S35-F50 CarbonylContact C-O 3.59Å; S35-F50 VanDerWaalsContact C-O 3.25Å; S35-F50 WeakPolarHBondContact CA-O 3.44Å; S35-F50 WeakPolarHBondContact CB-O 3.38Å; S35-F50 PolarHBondContact OG-O 3.42Å; S36-F50 PolarHBondContact N-O 2.74Å; S36-F50 PolarHBondContact O-N 2.85Å; T38-F50 WeakPolarHBondContact OG1-CE2 3.34Å; R48-F50 HydrophobicContact CB-CD2 4.47Å; R48-F50 HydrophobicContact CB-CE2 3.76Å; R48-F50 HydrophobicContact CB-CZ 4.06Å; F50-C55 CarbonylContact C-O 3.57Å; F50-C55 VanDerWaalsContact CA-O 3.23Å; F50-C55 WeakPolarHBondContact CA-O 3.45Å; F50-L56 HydrophobicContact CD1-CB 4.31Å; F50-L56 HydrophobicContact CD1-CD1 4.38Å; F50-L56 HydrophobicContact CE1-CB 4.23Å; F50-L56 HydrophobicContact CE1-CD1 4.04Å; F50-L56 HydrophobicContact CZ-CD1 4.22Å |
| 51 | D | 75.7 | Confident | 77.6 | Confident | 49 Ų | 49 | 74 Ų | 74 | 26% | 0.262 | 39% | 0.385 | S | S | . | . | trans | -71.3 | -176.7 | 177.1 | 66.4 | 18.3 | 0 | 0 | 0 | 113.8 | V34 Q53 S54 C55 V57 | V34-D51 WeakPolarHBondContact O-CA 3.48Å; D51-Q53 PolarHBondContact O-N 2.9Å; D51-Q53 VanDerWaalsContact OD1-CA 3.31Å; D51-Q53 WeakPolarHBondContact OD1-CA 3.35Å; D51-Q53 WeakPolarHBondContact OD1-CB 3.34Å; D51-Q53 PolarHBondContact OD1-N 3.27Å; D51-S54 PolarHBondContact O-N 3.45Å; D51-S54 PolarHBondContact OD1-N 2.82Å; D51-S54 VanDerWaalsContact OD1-N 3.14Å; D51-C55 PolarHBondContact N-O 3.02Å; D51-C55 WeakPolarHBondContact OD1-CB 3.26Å; D51-C55 PolarHBondContact OD1-N 3.39Å; D51-C55 WeakPolarHBondContact OD2-CB 3.45Å; D51-V57 HydrophobicContact CB-CG2 3.57Å | ||
| 52 | E | 70.8 | Confident | 78.2 | Confident | 144 Ų | 144 | 66.5 Ų | 66.5 | 67% | 0.673 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -23.8 | 175.6 | -67.2 | -173.8 | 176 | 0 | 0 | 114.2 | V34 S54 | V34-E52 HydrophobicContact CB-CG 3.46Å; V34-E52 VanDerWaalsContact CB-CG 3.46Å; V34-E52 VanDerWaalsContact CB-OE1 3.26Å; V34-E52 WeakPolarHBondContact CB-OE1 3.34Å; V34-E52 HydrophobicContact CG1-CG 3.88Å; V34-E52 HydrophobicContact CG2-CG 4.19Å; V34-E52 WeakPolarHBondContact CG2-OE1 3.26Å; V34-E52 PolarHBondContact O-N 2.77Å; E52-S54 VanDerWaalsContact C-N 3.31Å |
| 53 | Q | 73.2 | Confident | 78.5 | Confident | 162 Ų | 162 | 67.9 Ų | 67.9 | 76% | 0.757 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | 9.5 | 179.3 | -60.4 | -178 | 2.4 | 0 | 0 | 111.9 | D51 C55 | D51-Q53 PolarHBondContact O-N 2.9Å; D51-Q53 VanDerWaalsContact OD1-CA 3.31Å; D51-Q53 WeakPolarHBondContact OD1-CA 3.35Å; D51-Q53 WeakPolarHBondContact OD1-CB 3.34Å; D51-Q53 PolarHBondContact OD1-N 3.27Å; Q53-C55 PolarHBondContact O-N 2.91Å |
| 54 | S | 70.1 | Confident | 79 | Confident | 97 Ų | 97 | 69.5 Ų | 69.5 | 68% | 0.678 | 37% | 0.368 | S | S | * | . | S | Bend | trans | 60.9 | 21.9 | -173.3 | -52.9 | 0 | 0 | 0 | 0 | 113.8 | D51 E52 | D51-S54 PolarHBondContact O-N 3.45Å; D51-S54 PolarHBondContact OD1-N 2.82Å; D51-S54 VanDerWaalsContact OD1-N 3.14Å; E52-S54 VanDerWaalsContact C-N 3.31Å |
| 55 | C | 72.2 | Confident | 79.7 | Confident | 68 Ų | 68 | 60.9 Ų | 60.9 | 46% | 0.459 | 33% | 0.328 | S | S | . | . | trans | -84.9 | 136 | 172.8 | -69.4 | 0 | 0 | 0 | 0 | 110.3 | F50 D51 Q53 V57 | F50-C55 CarbonylContact C-O 3.57Å; F50-C55 VanDerWaalsContact CA-O 3.23Å; F50-C55 WeakPolarHBondContact CA-O 3.45Å; D51-C55 PolarHBondContact N-O 3.02Å; D51-C55 WeakPolarHBondContact OD1-CB 3.26Å; D51-C55 PolarHBondContact OD1-N 3.39Å; D51-C55 WeakPolarHBondContact OD2-CB 3.45Å; Q53-C55 PolarHBondContact O-N 2.91Å; C55-V57 PolarHBondContact O-N 2.9Å | ||
| 56 | L | 76.8 | Confident | 80.1 | Confident | 95 Ų | 95 | 58.9 Ų | 58.9 | 50% | 0.497 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 115 | 179.2 | -177.7 | 72.6 | 0 | 0 | 0 | 110.6 | R48 L49 F50 G58 | R48-L56 HydrophobicContact CB-CD1 3.6Å; R48-L56 HydrophobicContact CG-CD1 3.79Å; L49-L56 CarbonylContact O-C 3.56Å; F50-L56 HydrophobicContact CD1-CB 4.31Å; F50-L56 HydrophobicContact CD1-CD1 4.38Å; F50-L56 HydrophobicContact CE1-CB 4.23Å; F50-L56 HydrophobicContact CE1-CD1 4.04Å; F50-L56 HydrophobicContact CZ-CD1 4.22Å; L56-G58 WeakPolarHBondContact CD1-O 3.35Å |
| 57 | V | 74.7 | Confident | 80.3 | Confident | 84 Ų | 84 | 60.4 Ų | 60.4 | 51% | 0.509 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | -30.1 | 179.4 | -171 | 0 | 0 | 0 | 0 | 111.7 | L49 D51 C55 | L49-V57 HydrophobicContact CB-CB 4.45Å; L49-V57 PolarHBondContact O-N 2.8Å; D51-V57 HydrophobicContact CB-CG2 3.57Å; C55-V57 PolarHBondContact O-N 2.9Å |
| 58 | G | 76.3 | Confident | 80.6 | Confident | 14 Ų | 14 | 61.5 Ų | 61.5 | 14% | 0.144 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.4 | 147 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | R48 L49 L56 | R48-G58 CarbonylContact C-O 3.45Å; R48-G58 WeakPolarHBondContact CA-O 3.29Å; L49-G58 PolarHBondContact N-O 3.2Å; L49-G58 PolarHBondContact O-N 3.48Å; L56-G58 WeakPolarHBondContact CD1-O 3.35Å |
| 59 | S | 84.9 | Confident | 80.8 | Confident | 52 Ų | 52 | 58.3 Ų | 58.3 | 36% | 0.364 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 118.7 | 179.3 | -173.3 | 0 | 0 | 0 | 0 | 109.4 | S46 V47 | S46-S59 VanDerWaalsContact CB-OG 3.23Å; S46-S59 WeakPolarHBondContact CB-OG 3.35Å; S46-S59 PolarHBondContact OG-OG 3.32Å; V47-S59 CarbonylContact O-C 3.25Å; V47-S59 WeakPolarHBondContact O-CA 3.26Å |
| 60 | F | 86.4 | Confident | 81.1 | Confident | 20 Ų | 20 | 62.8 Ų | 62.8 | 9% | 0.088 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 101.8 | -174.2 | -55.5 | -81 | 0 | 0 | 0 | 110 | S46 V47 L49 I62 F81 F83 H98 | S46-F60 CarbonylContact C-O 3.5Å; S46-F60 VanDerWaalsContact CA-O 3.3Å; S46-F60 WeakPolarHBondContact CA-O 3.46Å; V47-F60 HydrophobicContact CB-CB 4.37Å; V47-F60 PolarHBondContact N-O 3.46Å; V47-F60 PolarHBondContact O-N 3.22Å; L49-F60 HydrophobicContact CD1-CE2 3.67Å; L49-F60 HydrophobicContact CD1-CZ 4.43Å; L49-F60 HydrophobicContact CG-CE2 4.03Å; F60-I62 PolarHBondContact O-N 2.87Å; F60-F81 HydrophobicContact CB-CE2 4.22Å; F60-F81 HydrophobicContact CD1-CE2 4.23Å; F60-F81 HydrophobicContact CD2-CE2 4.27Å; F60-F81 AromaticContact CD2-CZ 3.86Å; F60-F81 HydrophobicContact CD2-CZ 3.86Å; F60-F81 HydrophobicContact CE2-CZ 4.2Å; F60-F81 AromaticContact CG-CE2 3.97Å; F60-F81 HydrophobicContact CG-CE2 3.97Å; F60-F81 HydrophobicContact CG-CZ 4.04Å; F60-F83 HydrophobicContact CB-CD2 3.95Å; F60-F83 HydrophobicContact CB-CE2 3.83Å; F60-F83 HydrophobicContact CD1-CD1 4.08Å; F60-F83 HydrophobicContact CD1-CD2 4.04Å; F60-F83 HydrophobicContact CD1-CE1 4.19Å; F60-F83 HydrophobicContact CD1-CE2 4.13Å; F60-F83 HydrophobicContact CD1-CG 4.01Å; F60-F83 HydrophobicContact CD1-CZ 4.22Å; F60-F83 HydrophobicContact CG-CD2 4.47Å; F60-H98 AromaticContact CE1-CE1 3.14Å; F60-H98 WeakPolarHBondContact CE1-CE1 3.31Å; F60-H98 AromaticContact CE1-ND1 3.64Å; F60-H98 AromaticContact CE1-NE2 3.38Å; F60-H98 WeakPolarHBondContact CE1-NE2 3.37Å; F60-H98 AromaticContact CZ-CE1 3.38Å; F60-H98 WeakPolarHBondContact CZ-CE1 3.48Å; F60-H98 AromaticContact CZ-ND1 3.47Å; F60-H98 WeakPolarHBondContact CZ-ND1 3.45Å |
| 61 | P | 86 | Confident | 81.4 | Confident | 46 Ų | 46 | 61.9 Ų | 61.9 | 30% | 0.299 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -50.8 | 127.2 | 175.3 | -28.9 | 34.7 | 0 | 0 | 0 | 112.2 | S63 R64 | P61-S63 PolarHBondContact O-N 3.48Å; P61-R64 PolarHBondContact O-N 3.45Å |
| 62 | I | 83.6 | Confident | 81.6 | Confident | 2 Ų | 2 | 63.9 Ų | 63.9 | 1% | 0.01 | 36% | 0.355 | C | S | . | . | G | 310 helix | trans | -58.5 | -34.3 | -178.9 | -71.4 | -176 | 0 | 0 | 0 | 111.1 | P40 L43 E45 V47 F60 R64 I65 V118 F119 | P40-I62 HydrophobicContact CB-CD1 3.72Å; P40-I62 HydrophobicContact CG-CD1 3.63Å; P40-I62 HydrophobicContact CG-CG1 4.21Å; L43-I62 HydrophobicContact CD2-CG2 4.18Å; E45-I62 PolarHBondContact O-N 3.34Å; E45-I62 VanDerWaalsContact O-N 3.13Å; V47-I62 HydrophobicContact CG2-CG1 4.06Å; F60-I62 PolarHBondContact O-N 2.87Å; I62-R64 PolarHBondContact O-N 2.83Å; I62-R64 VanDerWaalsContact O-N 3.08Å; I62-I65 PolarHBondContact O-N 3.43Å; I62-I65 VanDerWaalsContact O-N 3.07Å; I62-V118 HydrophobicContact CD1-CB 4.34Å; I62-V118 HydrophobicContact CD1-CG1 3.75Å; I62-V118 HydrophobicContact CD1-CG2 4.31Å; I62-V118 HydrophobicContact CG2-CG1 3.91Å; I62-F119 HydrophobicContact CG2-CD1 4.31Å; I62-F119 HydrophobicContact CG2-CE1 3.72Å; I62-F119 HydrophobicContact CG2-CZ 4.48Å |
| 63 | S | 80.8 | Confident | 81.8 | Confident | 78 Ų | 78 | 59 Ų | 59 | 55% | 0.545 | 34% | 0.336 | S | S | . | . | G | 310 helix | trans | -56.2 | -23.6 | 176.7 | 59.2 | 0 | 0 | 0 | 0 | 114.3 | P61 | P61-S63 PolarHBondContact O-N 3.48Š|
| 64 | R | 86.2 | Confident | 81.7 | Confident | 78 Ų | 78 | 57.6 Ų | 57.6 | 29% | 0.294 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | -102.2 | 0 | -179.3 | -69.4 | -174.8 | 175.1 | -153.6 | -2.4 | 114.2 | P61 I62 F83 I84 S87 | P61-R64 PolarHBondContact O-N 3.45Å; I62-R64 PolarHBondContact O-N 2.83Å; I62-R64 VanDerWaalsContact O-N 3.08Å; R64-F83 HydrophobicContact CB-CD2 3.82Å; R64-F83 HydrophobicContact CB-CE2 3.37Å; R64-F83 HydrophobicContact CB-CZ 3.9Å; R64-F83 HydrophobicContact CG-CE2 4.37Å; R64-F83 WeakPolarHBondContact O-CA 3.04Å; R64-I84 HydrophobicContact CB-CB 4.38Å; R64-I84 PolarHBondContact O-N 3.1Å; R64-S87 PolarHBondContact NH2-OG 3.2Å |
| 65 | I | 87.1 | Confident | 82 | Confident | 10 Ų | 10 | 59.9 Ų | 59.9 | 5% | 0.051 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 125 | 173.8 | -61.1 | 175.8 | 0 | 0 | 0 | 108.7 | V47 I62 F81 T82 F83 F115 F119 | V47-I65 HydrophobicContact CG2-CD1 3.79Å; I62-I65 PolarHBondContact O-N 3.43Å; I62-I65 VanDerWaalsContact O-N 3.07Å; I65-F81 HydrophobicContact CD1-CD2 4.21Å; I65-F81 HydrophobicContact CD1-CE2 4.5Å; I65-F81 HydrophobicContact CG1-CD2 4.2Å; I65-F81 HydrophobicContact CG2-CB 4.12Å; I65-F81 HydrophobicContact CG2-CD2 4.42Å; I65-T82 WeakPolarHBondContact CA-O 3.27Å; I65-F83 HydrophobicContact CG1-CD2 4.09Å; I65-F115 HydrophobicContact CD1-CE1 3.69Å; I65-F115 HydrophobicContact CD1-CZ 4.29Å; I65-F119 HydrophobicContact CB-CZ 4.11Å; I65-F119 HydrophobicContact CG2-CZ 3.83Å |
| 66 | V | 86.4 | Confident | 82.4 | Confident | 49 Ų | 49 | 60.7 Ų | 60.7 | 30% | 0.297 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | -37.3 | -171.5 | -178.1 | 0 | 0 | 0 | 0 | 112.2 | P13 T82 I84 Y95 | P13-V66 HydrophobicContact CB-CB 4.13Å; P13-V66 HydrophobicContact CB-CG1 3.99Å; P13-V66 HydrophobicContact CG-CB 4.44Å; P13-V66 HydrophobicContact CG-CG1 3.84Å; V66-T82 PolarHBondContact N-O 3.49Å; V66-I84 HydrophobicContact CG2-CD1 3.92Å; V66-I84 HydrophobicContact CG2-CG1 3.69Å; V66-Y95 HydrophobicContact CG2-CD1 4.38Å; V66-Y95 HydrophobicContact CG2-CE1 4.27Å |
| 67 | F | 88.8 | Confident | 82.8 | Confident | 54 Ų | 54 | 56.7 Ų | 56.7 | 24% | 0.237 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 141.9 | -176.6 | -167.2 | -106.9 | 0 | 0 | 0 | 110.4 | P13 K14 E16 I19 K69 F81 T82 | P13-F67 WeakPolarHBondContact O-CB 3.4Å; K14-F67 HydrophobicContact CG-CB 4.2Å; K14-F67 HydrophobicContact CG-CD2 4.1Å; K14-F67 HydrophobicContact CG-CG 4.27Å; E16-F67 HydrophobicContact CG-CE1 4.08Å; E16-F67 HydrophobicContact CG-CZ 4.15Å; I19-F67 HydrophobicContact CD1-CD1 3.69Å; I19-F67 HydrophobicContact CD1-CE1 4.03Å; F67-K69 HydrophobicContact CD1-CB 4.44Å; F67-K69 HydrophobicContact CE1-CB 3.97Å; F67-F81 CarbonylContact O-C 3.58Å; F67-F81 VanDerWaalsContact O-CA 3.23Å; F67-F81 WeakPolarHBondContact O-CA 3.38Å; F67-T82 WeakPolarHBondContact CB-OG1 3.31Å; F67-T82 PolarHBondContact N-OG1 2.85Å; F67-T82 PolarHBondContact O-N 3.35Å; F67-T82 PolarHBondContact O-OG1 3.28Å |
| 68 | C | 88.9 | Confident | 83.4 | Confident | 24 Ų | 24 | 53.2 Ų | 53.2 | 16% | 0.162 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 138.4 | 173.4 | -64.5 | 0 | 0 | 0 | 0 | 109.3 | A80 F81 M112 | C68-A80 CarbonylContact C-O 3.54Å; C68-A80 WeakPolarHBondContact CA-O 3.26Å; C68-F81 HydrophobicContact CB-CB 4.47Å; C68-F81 VanDerWaalsContact SG-CB 3.53Å; C68-M112 HydrophobicContact CB-SD 4.38Å |
| 69 | K | 88 | Confident | 83.9 | Confident | 44 Ų | 44 | 52.5 Ų | 52.5 | 19% | 0.191 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 136.4 | 178.5 | -179.6 | 166.1 | 178.1 | 172.8 | 0 | 110.7 | E16 F67 A80 | E16-K69 HydrophobicContact CB-CD 4.33Å; E16-K69 HydrophobicContact CG-CD 3.99Å; E16-K69 IonicContact OE2-NZ 3Å; E16-K69 PolarHBondContact OE2-NZ 3.44Å; F67-K69 HydrophobicContact CD1-CB 4.44Å; F67-K69 HydrophobicContact CE1-CB 3.97Å; K69-A80 PolarHBondContact N-O 3.05Å; K69-A80 PolarHBondContact O-N 2.88Å |
| 70 | K | 88.9 | Confident | 84.2 | Confident | 98 Ų | 98 | 50.1 Ų | 50.1 | 43% | 0.426 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 144.6 | 166.7 | 72.5 | -175.8 | -168 | 178.5 | 0 | 111 | F78 V108 D109 M112 | K70-F78 CarbonylContact C-O 3.53Å; K70-F78 VanDerWaalsContact CA-O 3.3Å; K70-F78 WeakPolarHBondContact CA-O 3.4Å; K70-V108 HydrophobicContact CB-CG1 4.26Å; K70-D109 IonicContact NZ-OD1 2.63Å; K70-D109 PolarHBondContact NZ-OD1 2.83Å; K70-M112 HydrophobicContact CB-CG 4.36Å; K70-M112 HydrophobicContact CD-CG 4.47Å |
| 71 | S | 84 | Confident | 84.4 | Confident | 31 Ų | 31 | 49.1 Ų | 49.1 | 22% | 0.217 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 140.5 | 173.8 | -171.3 | 0 | 0 | 0 | 0 | 109.4 | F78 | S71-F78 PolarHBondContact N-O 3.3Å; S71-F78 PolarHBondContact O-N 2.82Å |
| 72 | V | 80.4 | Confident | 84.6 | Confident | 91 Ų | 91 | 47 Ų | 47 | 55% | 0.552 | 26% | 0.255 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 123.2 | -178 | -174.1 | 0 | 0 | 0 | 0 | 108.5 | ||
| 73 | C | 73.8 | Confident | 84.9 | Confident | 42 Ų | 42 | 47.7 Ų | 47.7 | 28% | 0.284 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 161.7 | 168.5 | -67 | 0 | 0 | 0 | 0 | 109.1 | D75 R76 F78 | C73-D75 PolarHBondContact O-N 3.5Å; C73-R76 PolarHBondContact N-O 2.85Å; C73-R76 PolarHBondContact O-N 3.34Å; C73-R76 VanDerWaalsContact O-O 3.06Å; C73-F78 HydrophobicContact CB-CE2 3.93Å |
| 74 | P | 72 | Confident | 85.2 | Confident | 133 Ų | 133 | 46.1 Ų | 46.1 | 86% | 0.864 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | -34.6 | -173.8 | -27.2 | 34.2 | 0 | 0 | 0 | 114.9 | ||
| 75 | D | 75.4 | Confident | 84.7 | Confident | 144 Ų | 144 | 44.2 Ų | 44.2 | 77% | 0.77 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -109.6 | -13.7 | -173.2 | -56.7 | -35.5 | 0 | 0 | 0 | 114 | C73 | C73-D75 PolarHBondContact O-N 3.5Š|
| 76 | R | 80.2 | Confident | 83.7 | Confident | 85 Ų | 85 | 46 Ų | 46 | 32% | 0.321 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 149.5 | -172.9 | -66.7 | -169.1 | -178.9 | -154.6 | 7.4 | 112.5 | C73 F78 | C73-R76 PolarHBondContact N-O 2.85Å; C73-R76 PolarHBondContact O-N 3.34Å; C73-R76 VanDerWaalsContact O-O 3.06Å; R76-F78 HydrophobicContact CB-CE2 3.89Å; R76-F78 HydrophobicContact CB-CZ 3.8Å |
| 77 | C | 85.7 | Confident | 82.2 | Confident | 11 Ų | 11 | 47.4 Ų | 47.4 | 7% | 0.074 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 138.9 | 176.2 | -51.7 | 0 | 0 | 0 | 0 | 109 | S101 S102 Q105 V108 | C77-S101 CarbonylContact O-C 3.37Å; C77-S101 VanDerWaalsContact O-CA 3.27Å; C77-S101 WeakPolarHBondContact O-CA 3.38Å; C77-S102 PolarHBondContact N-O 2.91Å; C77-S102 PolarHBondContact O-N 2.84Å; C77-Q105 PolarHBondContact SG-OE1 3.41Å; C77-V108 HydrophobicContact CB-CB 4.39Å; C77-V108 HydrophobicContact CB-CG2 3.81Å |
| 78 | F | 86.7 | Confident | 80.5 | Confident | 11 Ų | 11 | 49.7 Ų | 49.7 | 5% | 0.048 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 143 | -176.8 | -60.1 | -85.2 | 0 | 0 | 0 | 111 | I23 C27 K70 S71 C73 R76 V99 L100 S101 | I23-F78 HydrophobicContact CG2-CB 3.97Å; I23-F78 HydrophobicContact CG2-CD1 4.1Å; I23-F78 HydrophobicContact CG2-CD2 4.05Å; I23-F78 HydrophobicContact CG2-CG 3.76Å; C27-F78 HydrophobicContact CB-CZ 4.45Å; C27-F78 WeakPolarHBondContact SG-CE1 3.41Å; C27-F78 WeakPolarHBondContact SG-CZ 3.47Å; K70-F78 CarbonylContact C-O 3.53Å; K70-F78 VanDerWaalsContact CA-O 3.3Å; K70-F78 WeakPolarHBondContact CA-O 3.4Å; S71-F78 PolarHBondContact N-O 3.3Å; S71-F78 PolarHBondContact O-N 2.82Å; C73-F78 HydrophobicContact CB-CE2 3.93Å; R76-F78 HydrophobicContact CB-CE2 3.89Å; R76-F78 HydrophobicContact CB-CZ 3.8Å; F78-V99 HydrophobicContact CD1-CG1 4.13Å; F78-L100 CarbonylContact C-O 3.43Å; F78-L100 VanDerWaalsContact CA-O 3.25Å; F78-L100 WeakPolarHBondContact CA-O 3.46Å; F78-S101 VanDerWaalsContact CD1-CB 3.47Å |
| 79 | L | 88.5 | Confident | 78.7 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 122.1 | 170.5 | 173.1 | 78.2 | 0 | 0 | 0 | 107.1 | L100 V108 V111 M112 F115 | L79-L100 HydrophobicContact CB-CB 4.25Å; L79-L100 HydrophobicContact CD2-CD1 3.82Å; L79-L100 PolarHBondContact N-O 3.46Å; L79-L100 PolarHBondContact O-N 3.38Å; L79-V108 HydrophobicContact CB-CG1 4.19Å; L79-V111 HydrophobicContact CD2-CG1 3.53Å; L79-M112 HydrophobicContact CD1-CG 3.73Å; L79-M112 HydrophobicContact CD1-SD 3.14Å; L79-M112 WeakPolarHBondContact CD1-SD 3.33Å; L79-F115 HydrophobicContact CD2-CE2 4.13Å |
| 80 | A | 90.2 | Very high | 77.1 | Confident | 1 Ų | 1 | 63.2 Ų | 63.2 | 1% | 0.008 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 135.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | I19 I23 C68 K69 H98 V99 | I19-A80 HydrophobicContact CG2-CB 3.64Å; I23-A80 HydrophobicContact CD1-CB 3.86Å; I23-A80 HydrophobicContact CG1-CB 4.06Å; C68-A80 CarbonylContact C-O 3.54Å; C68-A80 WeakPolarHBondContact CA-O 3.26Å; K69-A80 PolarHBondContact N-O 3.05Å; K69-A80 PolarHBondContact O-N 2.88Å; A80-H98 CarbonylContact C-O 3.54Å; A80-H98 VanDerWaalsContact CA-O 3.22Å; A80-H98 WeakPolarHBondContact CA-O 3.43Å; A80-V99 HydrophobicContact CB-CG2 4.12Å |
| 81 | F | 91 | Very high | 75.7 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 144.3 | 170.5 | 65.7 | -92.7 | 0 | 0 | 0 | 110.9 | F60 I65 F67 C68 F83 C97 H98 L100 | F60-F81 HydrophobicContact CB-CE2 4.22Å; F60-F81 HydrophobicContact CD1-CE2 4.23Å; F60-F81 HydrophobicContact CD2-CE2 4.27Å; F60-F81 AromaticContact CD2-CZ 3.86Å; F60-F81 HydrophobicContact CD2-CZ 3.86Å; F60-F81 HydrophobicContact CE2-CZ 4.2Å; F60-F81 AromaticContact CG-CE2 3.97Å; F60-F81 HydrophobicContact CG-CE2 3.97Å; F60-F81 HydrophobicContact CG-CZ 4.04Å; I65-F81 HydrophobicContact CD1-CD2 4.21Å; I65-F81 HydrophobicContact CD1-CE2 4.5Å; I65-F81 HydrophobicContact CG1-CD2 4.2Å; I65-F81 HydrophobicContact CG2-CB 4.12Å; I65-F81 HydrophobicContact CG2-CD2 4.42Å; F67-F81 CarbonylContact O-C 3.58Å; F67-F81 VanDerWaalsContact O-CA 3.23Å; F67-F81 WeakPolarHBondContact O-CA 3.38Å; C68-F81 HydrophobicContact CB-CB 4.47Å; C68-F81 VanDerWaalsContact SG-CB 3.53Å; F81-F83 HydrophobicContact CD2-CB 4.39Å; F81-F83 HydrophobicContact CE2-CB 4.35Å; F81-C97 WeakPolarHBondContact O-CA 3.2Å; F81-H98 HydrophobicContact CD1-CB 4.09Å; F81-H98 HydrophobicContact CD2-CB 4.09Å; F81-H98 HydrophobicContact CE1-CB 3.62Å; F81-H98 HydrophobicContact CE2-CB 3.61Å; F81-H98 AromaticContact CE2-CD2 3.71Å; F81-H98 AromaticContact CE2-CG 3.73Å; F81-H98 HydrophobicContact CG-CB 4.31Å; F81-H98 HydrophobicContact CZ-CB 3.36Å; F81-H98 AromaticContact CZ-CG 3.74Å; F81-H98 PolarHBondContact N-O 3.37Å; F81-H98 PolarHBondContact O-N 2.84Å; F81-L100 HydrophobicContact CD1-CD1 4.36Å; F81-L100 HydrophobicContact CE1-CD1 3.92Å |
| 82 | T | 90.7 | Very high | 74.8 | Confident | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 134 | 176.4 | 57.9 | 0 | 0 | 0 | 0 | 110.7 | I10 P13 I19 I65 V66 F67 Q96 C97 | I10-T82 HydrophobicContact CD1-CG2 4.41Å; I10-T82 HydrophobicContact CG2-CG2 4.06Å; P13-T82 HydrophobicContact CB-CG2 4.25Å; P13-T82 WeakPolarHBondContact CB-OG1 3.26Å; P13-T82 WeakPolarHBondContact O-CG2 3.49Å; P13-T82 PolarHBondContact O-OG1 3.15Å; I19-T82 HydrophobicContact CD1-CG2 4.02Å; I19-T82 HydrophobicContact CG1-CG2 4.25Å; I65-T82 WeakPolarHBondContact CA-O 3.27Å; V66-T82 PolarHBondContact N-O 3.49Å; F67-T82 WeakPolarHBondContact CB-OG1 3.31Å; F67-T82 PolarHBondContact N-OG1 2.85Å; F67-T82 PolarHBondContact O-N 3.35Å; F67-T82 PolarHBondContact O-OG1 3.28Å; T82-Q96 CarbonylContact C-O 3.51Å; T82-Q96 VanDerWaalsContact CA-O 3.28Å; T82-Q96 WeakPolarHBondContact CA-O 3.33Å; T82-C97 HydrophobicContact CG2-CB 4.04Å |
| 83 | F | 88.7 | Confident | 74.3 | Confident | 18 Ų | 18 | 68.8 Ų | 68.8 | 8% | 0.079 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 142.4 | -168.7 | 179.1 | -96.6 | 0 | 0 | 0 | 110.7 | F60 R64 I65 F81 A85 Y95 Q96 | F60-F83 HydrophobicContact CB-CD2 3.95Å; F60-F83 HydrophobicContact CB-CE2 3.83Å; F60-F83 HydrophobicContact CD1-CD1 4.08Å; F60-F83 HydrophobicContact CD1-CD2 4.04Å; F60-F83 HydrophobicContact CD1-CE1 4.19Å; F60-F83 HydrophobicContact CD1-CE2 4.13Å; F60-F83 HydrophobicContact CD1-CG 4.01Å; F60-F83 HydrophobicContact CD1-CZ 4.22Å; F60-F83 HydrophobicContact CG-CD2 4.47Å; R64-F83 HydrophobicContact CB-CD2 3.82Å; R64-F83 HydrophobicContact CB-CE2 3.37Å; R64-F83 HydrophobicContact CB-CZ 3.9Å; R64-F83 HydrophobicContact CG-CE2 4.37Å; R64-F83 WeakPolarHBondContact O-CA 3.04Å; I65-F83 HydrophobicContact CG1-CD2 4.09Å; F81-F83 HydrophobicContact CD2-CB 4.39Å; F81-F83 HydrophobicContact CE2-CB 4.35Å; F83-A85 PolarHBondContact O-N 2.91Å; F83-Y95 WeakPolarHBondContact O-CA 3.22Å; F83-Q96 PolarHBondContact N-O 2.89Å; F83-Q96 PolarHBondContact O-N 3.43Å |
| 84 | I | 87.6 | Confident | 74.6 | Confident | 44 Ų | 44 | 68.4 Ų | 68.4 | 23% | 0.226 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 105.8 | 175.5 | -55.6 | 172.6 | 0 | 0 | 0 | 109.3 | R64 V66 P93 Y95 | R64-I84 HydrophobicContact CB-CB 4.38Å; R64-I84 PolarHBondContact O-N 3.1Å; V66-I84 HydrophobicContact CG2-CD1 3.92Å; V66-I84 HydrophobicContact CG2-CG1 3.69Å; I84-P93 HydrophobicContact CG2-CB 4.31Å; I84-Y95 HydrophobicContact CD1-CE1 4.46Å; I84-Y95 HydrophobicContact CG1-CD1 3.96Å; I84-Y95 HydrophobicContact CG1-CE1 3.85Å |
| 85 | A | 76.3 | Confident | 75.5 | Confident | 38 Ų | 38 | 64.7 Ų | 64.7 | 31% | 0.314 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | -34.4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114 | F83 C94 Q96 | F83-A85 PolarHBondContact O-N 2.91Å; A85-C94 PolarHBondContact N-O 3.04Å; A85-Q96 HydrophobicContact CB-CG 3.86Å |
| 86 | S | 66.6 | Low | 76.1 | Confident | 49 Ų | 49 | 60.6 Ų | 60.6 | 34% | 0.343 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 124 | 178 | 62.9 | 0 | 0 | 0 | 0 | 111 | C94 | S86-C94 WeakPolarHBondContact OG-CB 3.18Å |
| 87 | S | 54.1 | Low | 76.7 | Confident | 78 Ų | 78 | 56.5 Ų | 56.5 | 55% | 0.545 | 31% | 0.309 | S | S | . | . | trans | -110 | 69 | 170.7 | 59.7 | 0 | 0 | 0 | 0 | 108.1 | R64 | R64-S87 PolarHBondContact NH2-OG 3.2Š| ||
| 88 | D | 52.5 | Low | 76.9 | Confident | 102 Ų | 102 | 56.2 Ų | 56.2 | 55% | 0.545 | 31% | 0.307 | S | S | . | . | trans | -98.1 | 117 | 167.9 | -141.1 | -11.2 | 0 | 0 | 0 | 105.7 | N90 L91 | D88-N90 PolarHBondContact O-N 2.87Å; D88-L91 HydrophobicContact CB-CD1 4.36Å; D88-L91 PolarHBondContact O-N 3.44Å; D88-L91 VanDerWaalsContact O-N 3.13Å | ||
| 89 | E | 52.8 | Low | 77 | Confident | 196 Ų | 196 | 55.7 Ų | 55.7 | 92% | 0.916 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -6.7 | -170.1 | -67.9 | -166.7 | 153.2 | 0 | 0 | 114 | ||
| 90 | N | 53.2 | Low | 76.9 | Confident | 156 Ų | 156 | 55.7 Ų | 55.7 | 83% | 0.834 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.3 | 4.9 | -178.2 | -70.3 | -46.4 | 0 | 0 | 0 | 115.2 | D88 | D88-N90 PolarHBondContact O-N 2.87Š|
| 91 | L | 59.1 | Low | 76.7 | Confident | 125 Ų | 125 | 55.7 Ų | 55.7 | 65% | 0.654 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -130.3 | 149.8 | 179 | -82.2 | 127.6 | 0 | 0 | 0 | 112.1 | D88 | D88-L91 HydrophobicContact CB-CD1 4.36Å; D88-L91 PolarHBondContact O-N 3.44Å; D88-L91 VanDerWaalsContact O-N 3.13Å |
| 92 | D | 65.3 | Low | 76.4 | Confident | 155 Ų | 155 | 55.7 Ų | 55.7 | 83% | 0.829 | 30% | 0.304 | S | S | * | . | P | Polyproline II helix | trans | -54.7 | 131.3 | 173.9 | -83.3 | -33.2 | 0 | 0 | 0 | 110.3 | C94 | D92-C94 PolarHBondContact O-N 3.23Š|
| 93 | P | 69.4 | Low | 76 | Confident | 56 Ų | 56 | 59.7 Ų | 59.7 | 36% | 0.364 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -60.8 | 124.4 | -175.4 | 22.7 | -33.1 | 0 | 0 | 0 | 111 | I84 Y95 | I84-P93 HydrophobicContact CG2-CB 4.31Å; P93-Y95 HydrophobicContact CB-CE1 4.38Å; P93-Y95 HydrophobicContact CB-CE2 4.32Å; P93-Y95 HydrophobicContact CG-CE2 4.04Å; P93-Y95 VanDerWaalsContact CG-OH 3.29Å; P93-Y95 WeakPolarHBondContact CG-OH 3.17Å; P93-Y95 WeakPolarHBondContact O-CD2 3.45Å; P93-Y95 VanDerWaalsContact O-CE2 3.29Å; P93-Y95 WeakPolarHBondContact O-CE2 3.49Å |
| 94 | C | 81.5 | Confident | 75.6 | Confident | 35 Ų | 35 | 62 Ų | 62 | 24% | 0.236 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 121.4 | 174.3 | -172.5 | 0 | 0 | 0 | 0 | 109.9 | Q9 A85 S86 D92 | Q9-C94 PolarHBondContact NE2-SG 3.19Å; A85-C94 PolarHBondContact N-O 3.04Å; S86-C94 WeakPolarHBondContact OG-CB 3.18Å; D92-C94 PolarHBondContact O-N 3.23Å |
| 95 | Y | 89.5 | Confident | 75.5 | Confident | 55 Ų | 55 | 62.7 Ų | 62.7 | 22% | 0.216 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 138.7 | 176.7 | -49.3 | -85.8 | 0 | 0 | 0 | 111.5 | Q9 I10 P13 V66 F83 I84 P93 | Q9-Y95 WeakPolarHBondContact CA-O 3.48Å; I10-Y95 PolarHBondContact N-O 2.98Å; I10-Y95 WeakPolarHBondContact O-CB 3.47Å; P13-Y95 HydrophobicContact CB-CD1 3.78Å; P13-Y95 HydrophobicContact CB-CE1 4.28Å; P13-Y95 HydrophobicContact CB-CG 3.93Å; P13-Y95 HydrophobicContact CG-CD1 3.67Å; P13-Y95 HydrophobicContact CG-CD2 4.15Å; P13-Y95 HydrophobicContact CG-CE1 3.68Å; P13-Y95 HydrophobicContact CG-CE2 4.18Å; P13-Y95 HydrophobicContact CG-CG 3.91Å; V66-Y95 HydrophobicContact CG2-CD1 4.38Å; V66-Y95 HydrophobicContact CG2-CE1 4.27Å; F83-Y95 WeakPolarHBondContact O-CA 3.22Å; I84-Y95 HydrophobicContact CD1-CE1 4.46Å; I84-Y95 HydrophobicContact CG1-CD1 3.96Å; I84-Y95 HydrophobicContact CG1-CE1 3.85Å; P93-Y95 HydrophobicContact CB-CE1 4.38Å; P93-Y95 HydrophobicContact CB-CE2 4.32Å; P93-Y95 HydrophobicContact CG-CE2 4.04Å; P93-Y95 VanDerWaalsContact CG-OH 3.29Å; P93-Y95 WeakPolarHBondContact CG-OH 3.17Å; P93-Y95 WeakPolarHBondContact O-CD2 3.45Å; P93-Y95 VanDerWaalsContact O-CE2 3.29Å; P93-Y95 WeakPolarHBondContact O-CE2 3.49Å |
| 96 | Q | 89.7 | Confident | 75.9 | Confident | 57 Ų | 57 | 63.9 Ų | 63.9 | 27% | 0.266 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 138.5 | 172.3 | -70.7 | -178.3 | -16.4 | 0 | 0 | 110 | A8 Q9 T82 F83 A85 | A8-Q96 CarbonylContact O-C 3.44Å; A8-Q96 WeakPolarHBondContact O-CA 3.43Å; Q9-Q96 HydrophobicContact CG-CG 4.39Å; T82-Q96 CarbonylContact C-O 3.51Å; T82-Q96 VanDerWaalsContact CA-O 3.28Å; T82-Q96 WeakPolarHBondContact CA-O 3.33Å; F83-Q96 PolarHBondContact N-O 2.89Å; F83-Q96 PolarHBondContact O-N 3.43Å; A85-Q96 HydrophobicContact CB-CG 3.86Å |
| 97 | C | 91.6 | Very high | 76.7 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 117.7 | 172.3 | -175.4 | 0 | 0 | 0 | 0 | 108.9 | C7 A8 I10 I22 F81 T82 | C7-C97 CarbonylContact C-O 3.5Å; C7-C97 WeakPolarHBondContact CA-O 3.41Å; C7-C97 WeakPolarHBondContact CB-O 3.39Å; A8-C97 PolarHBondContact N-O 2.81Å; A8-C97 PolarHBondContact O-N 3.34Å; I10-C97 HydrophobicContact CB-CB 4.42Å; I10-C97 HydrophobicContact CG2-CB 4.23Å; I22-C97 HydrophobicContact CD1-CB 3.84Å; I22-C97 HydrophobicContact CG2-CB 4.23Å; F81-C97 WeakPolarHBondContact O-CA 3.2Å; T82-C97 HydrophobicContact CG2-CB 4.04Å |
| 98 | H | 89.5 | Confident | 78.2 | Confident | 4 Ų | 4 | 59.3 Ų | 59.3 | 2% | 0.019 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 130.6 | 178.1 | -69.8 | -88.7 | 0 | 0 | 0 | 109.3 | Y4 F60 A80 F81 | Y4-H98 HydrophobicContact CE2-CB 4.06Å; Y4-H98 AromaticContact CE2-ND1 3.79Å; Y4-H98 AromaticContact CZ-ND1 3.68Å; Y4-H98 PolarHBondContact OH-CE1 3.43Å; Y4-H98 PolarHBondContact OH-ND1 3.41Å; F60-H98 AromaticContact CE1-CE1 3.14Å; F60-H98 WeakPolarHBondContact CE1-CE1 3.31Å; F60-H98 AromaticContact CE1-ND1 3.64Å; F60-H98 AromaticContact CE1-NE2 3.38Å; F60-H98 WeakPolarHBondContact CE1-NE2 3.37Å; F60-H98 AromaticContact CZ-CE1 3.38Å; F60-H98 WeakPolarHBondContact CZ-CE1 3.48Å; F60-H98 AromaticContact CZ-ND1 3.47Å; F60-H98 WeakPolarHBondContact CZ-ND1 3.45Å; A80-H98 CarbonylContact C-O 3.54Å; A80-H98 VanDerWaalsContact CA-O 3.22Å; A80-H98 WeakPolarHBondContact CA-O 3.43Å; F81-H98 HydrophobicContact CD1-CB 4.09Å; F81-H98 HydrophobicContact CD2-CB 4.09Å; F81-H98 HydrophobicContact CE1-CB 3.62Å; F81-H98 HydrophobicContact CE2-CB 3.61Å; F81-H98 AromaticContact CE2-CD2 3.71Å; F81-H98 AromaticContact CE2-CG 3.73Å; F81-H98 HydrophobicContact CG-CB 4.31Å; F81-H98 HydrophobicContact CZ-CB 3.36Å; F81-H98 AromaticContact CZ-CG 3.74Å; F81-H98 PolarHBondContact N-O 3.37Å; F81-H98 PolarHBondContact O-N 2.84Å |
| 99 | V | 89.2 | Confident | 79.7 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 130.5 | -176.4 | -178.1 | 0 | 0 | 0 | 0 | 110.5 | Y4 C5 G6 I22 I23 L26 F78 A80 | Y4-V99 WeakPolarHBondContact CD2-O 3.33Å; C5-V99 HydrophobicContact CB-CB 4.12Å; C5-V99 HydrophobicContact CB-CG1 4.02Å; C5-V99 WeakPolarHBondContact CB-O 3.49Å; C5-V99 PolarHBondContact N-O 3.27Å; G6-V99 PolarHBondContact O-N 3.31Å; I22-V99 HydrophobicContact CG2-CG2 4.12Å; I23-V99 HydrophobicContact CG1-CG1 4.04Å; I23-V99 HydrophobicContact CG1-CG2 3.9Å; I23-V99 HydrophobicContact CG2-CG1 4.48Å; L26-V99 HydrophobicContact CD1-CB 3.98Å; L26-V99 HydrophobicContact CD1-CG2 3.72Å; F78-V99 HydrophobicContact CD1-CG1 4.13Å; A80-V99 HydrophobicContact CB-CG2 4.12Å |
| 100 | L | 87.3 | Confident | 81.3 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 145.7 | 175.4 | -69 | 154.8 | 0 | 0 | 0 | 108.6 | L2 Y3 Y4 V37 L49 F78 L79 F81 | L2-L100 HydrophobicContact CD2-CB 4.16Å; Y3-L100 CarbonylContact O-C 3.48Å; Y3-L100 VanDerWaalsContact O-CA 3.32Å; Y3-L100 WeakPolarHBondContact O-CA 3.43Å; Y4-L100 HydrophobicContact CD2-CD2 3.92Å; Y4-L100 HydrophobicContact CD2-CG 4.28Å; Y4-L100 HydrophobicContact CG-CD2 4.48Å; V37-L100 HydrophobicContact CG2-CD1 4.22Å; V37-L100 HydrophobicContact CG2-CD2 3.59Å; L49-L100 HydrophobicContact CD2-CD2 4.08Å; F78-L100 CarbonylContact C-O 3.43Å; F78-L100 VanDerWaalsContact CA-O 3.25Å; F78-L100 WeakPolarHBondContact CA-O 3.46Å; L79-L100 HydrophobicContact CB-CB 4.25Å; L79-L100 HydrophobicContact CD2-CD1 3.82Å; L79-L100 PolarHBondContact N-O 3.46Å; L79-L100 PolarHBondContact O-N 3.38Å; F81-L100 HydrophobicContact CD1-CD1 4.36Å; F81-L100 HydrophobicContact CE1-CD1 3.92Å |
| 101 | S | 86.2 | Confident | 82.8 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 149.4 | 176.3 | 70.7 | 0 | 0 | 0 | 0 | 111.9 | L2 Y3 C5 C77 F78 | L2-S101 CarbonylContact C-O 3.55Å; L2-S101 WeakPolarHBondContact CA-O 3.46Å; Y3-S101 PolarHBondContact N-O 2.87Å; Y3-S101 PolarHBondContact O-N 3.28Å; C5-S101 PolarHBondContact SG-OG 3.48Å; C77-S101 CarbonylContact O-C 3.37Å; C77-S101 VanDerWaalsContact O-CA 3.27Å; C77-S101 WeakPolarHBondContact O-CA 3.38Å; F78-S101 VanDerWaalsContact CD1-CB 3.47Å |
| 102 | S | 84.4 | Confident | 84.1 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 142.9 | 169 | -164.3 | 0 | 0 | 0 | 0 | 109.6 | M1 C77 D104 | M1-S102 WeakPolarHBondContact O-CB 3.36Å; M1-S102 PolarHBondContact O-OG 3.48Å; C77-S102 PolarHBondContact N-O 2.91Å; C77-S102 PolarHBondContact O-N 2.84Å; S102-D104 PolarHBondContact O-N 3.1Å; S102-D104 PolarHBondContact OG-N 3.46Å; S102-D104 PolarHBondContact OG-O 3.14Å |
| 103 | P | 81.2 | Confident | 85.1 | Confident | 85 Ų | 85 | 38 Ų | 38 | 55% | 0.552 | 22% | 0.217 | S | C | * | . | S | Bend | trans | -68.1 | -17.8 | 167.4 | 28 | -33.7 | 0 | 0 | 0 | 112.3 | Y3 | Y3-P103 HydrophobicContact CE2-CG 4.45Š|
| 104 | D | 81.9 | Confident | 85.8 | Confident | 67 Ų | 67 | 38.8 Ų | 38.8 | 36% | 0.358 | 22% | 0.218 | S | C | . | . | trans | -111.2 | 122.2 | -177.3 | 169.7 | 43.4 | 0 | 0 | 0 | 111.6 | S102 S106 T107 | S102-D104 PolarHBondContact O-N 3.1Å; S102-D104 PolarHBondContact OG-N 3.46Å; S102-D104 PolarHBondContact OG-O 3.14Å; D104-S106 VanDerWaalsContact C-N 3.25Å; D104-S106 VanDerWaalsContact CG-OG 3.3Å; D104-S106 PolarHBondContact O-N 3.35Å; D104-S106 PolarHBondContact OD1-N 2.94Å; D104-S106 VanDerWaalsContact OD1-N 3.1Å; D104-S106 PolarHBondContact OD1-OG 3.21Å; D104-S106 WeakPolarHBondContact OD2-CB 3.4Å; D104-S106 PolarHBondContact OD2-OG 3.44Å; D104-T107 PolarHBondContact O-N 2.95Å; D104-T107 PolarHBondContact OD2-N 3.32Å; D104-T107 PolarHBondContact OD2-OG1 2.86Å | ||
| 105 | Q | 84.7 | Confident | 86 | Confident | 57 Ų | 57 | 37.3 Ų | 37.3 | 27% | 0.266 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -61.4 | -34.9 | 177.6 | 179.1 | 64.5 | 42.6 | 0 | 0 | 111.5 | C77 T107 V108 D109 | C77-Q105 PolarHBondContact SG-OE1 3.41Å; Q105-T107 VanDerWaalsContact C-N 3.31Å; Q105-T107 PolarHBondContact O-N 2.92Å; Q105-V108 PolarHBondContact O-N 2.79Å; Q105-D109 WeakPolarHBondContact CG-OD2 3.44Å; Q105-D109 VanDerWaalsContact NE2-CG 3.32Å; Q105-D109 PolarHBondContact NE2-OD1 3.17Å; Q105-D109 VanDerWaalsContact NE2-OD1 3.16Å; Q105-D109 PolarHBondContact NE2-OD2 3.43Å; Q105-D109 PolarHBondContact O-N 2.82Å |
| 106 | S | 84 | Confident | 85.8 | Confident | 63 Ų | 63 | 37.4 Ų | 37.4 | 44% | 0.441 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -65.2 | -36.6 | -177.8 | 89.4 | 0 | 0 | 0 | 0 | 112.1 | D104 V108 D109 N110 | D104-S106 VanDerWaalsContact C-N 3.25Å; D104-S106 VanDerWaalsContact CG-OG 3.3Å; D104-S106 PolarHBondContact O-N 3.35Å; D104-S106 PolarHBondContact OD1-N 2.94Å; D104-S106 VanDerWaalsContact OD1-N 3.1Å; D104-S106 PolarHBondContact OD1-OG 3.21Å; D104-S106 WeakPolarHBondContact OD2-CB 3.4Å; D104-S106 PolarHBondContact OD2-OG 3.44Å; S106-V108 PolarHBondContact O-N 3.42Å; S106-D109 PolarHBondContact O-N 2.92Å; S106-N110 WeakPolarHBondContact O-CB 3.46Å; S106-N110 PolarHBondContact O-N 2.66Å; S106-N110 PolarHBondContact O-ND2 3.46Å |
| 107 | T | 84.1 | Confident | 85.4 | Confident | 30 Ų | 30 | 41.6 Ų | 41.6 | 18% | 0.184 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.4 | -42.8 | 174.6 | -58.6 | 0 | 0 | 0 | 0 | 111.5 | L2 D104 Q105 V111 | L2-T107 HydrophobicContact CD1-CG2 4.2Å; L2-T107 HydrophobicContact CD2-CG2 4.47Å; L2-T107 HydrophobicContact CG-CG2 3.88Å; D104-T107 PolarHBondContact O-N 2.95Å; D104-T107 PolarHBondContact OD2-N 3.32Å; D104-T107 PolarHBondContact OD2-OG1 2.86Å; Q105-T107 VanDerWaalsContact C-N 3.31Å; Q105-T107 PolarHBondContact O-N 2.92Å; T107-V111 PolarHBondContact O-N 3.03Å |
| 108 | V | 84.9 | Confident | 85 | Confident | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.006 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -70.2 | -40.8 | 178.7 | 174.3 | 0 | 0 | 0 | 0 | 111.4 | L2 K70 C77 L79 Q105 S106 V111 M112 | L2-V108 HydrophobicContact CD2-CG2 4.28Å; K70-V108 HydrophobicContact CB-CG1 4.26Å; C77-V108 HydrophobicContact CB-CB 4.39Å; C77-V108 HydrophobicContact CB-CG2 3.81Å; L79-V108 HydrophobicContact CB-CG1 4.19Å; Q105-V108 PolarHBondContact O-N 2.79Å; S106-V108 PolarHBondContact O-N 3.42Å; V108-V111 PolarHBondContact O-N 3.06Å; V108-M112 HydrophobicContact CG1-CG 4.46Å; V108-M112 WeakPolarHBondContact O-CG 3.28Å; V108-M112 PolarHBondContact O-N 3.22Å |
| 109 | D | 85.3 | Confident | 84.6 | Confident | 50 Ų | 50 | 44.2 Ų | 44.2 | 27% | 0.267 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -66.8 | -38.9 | 179.2 | -74 | -36.6 | 0 | 0 | 0 | 112.1 | K70 Q105 S106 V111 M112 S113 | K70-D109 IonicContact NZ-OD1 2.63Å; K70-D109 PolarHBondContact NZ-OD1 2.83Å; Q105-D109 WeakPolarHBondContact CG-OD2 3.44Å; Q105-D109 VanDerWaalsContact NE2-CG 3.32Å; Q105-D109 PolarHBondContact NE2-OD1 3.17Å; Q105-D109 VanDerWaalsContact NE2-OD1 3.16Å; Q105-D109 PolarHBondContact NE2-OD2 3.43Å; Q105-D109 PolarHBondContact O-N 2.82Å; S106-D109 PolarHBondContact O-N 2.92Å; D109-V111 PolarHBondContact O-N 3.41Å; D109-M112 PolarHBondContact O-N 2.81Å; D109-S113 PolarHBondContact O-N 2.96Å; D109-S113 PolarHBondContact O-OG 3.04Å |
| 110 | N | 85.4 | Confident | 84.1 | Confident | 101 Ų | 101 | 47 Ų | 47 | 54% | 0.54 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -59.8 | -46.9 | 174 | -72.1 | -19.1 | 0 | 0 | 0 | 111.8 | S106 M112 S113 D114 | S106-N110 WeakPolarHBondContact O-CB 3.46Å; S106-N110 PolarHBondContact O-N 2.66Å; S106-N110 PolarHBondContact O-ND2 3.46Å; N110-M112 VanDerWaalsContact C-N 3.34Å; N110-M112 PolarHBondContact O-N 3.04Å; N110-S113 WeakPolarHBondContact O-CB 3.13Å; N110-S113 PolarHBondContact O-N 3.28Å; N110-S113 VanDerWaalsContact O-N 3.15Å; N110-D114 PolarHBondContact O-N 2.97Å |
| 111 | V | 84.8 | Confident | 83.2 | Confident | 13 Ų | 13 | 49.7 Ų | 49.7 | 8% | 0.079 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66.2 | -36.2 | 178.2 | 170.3 | 0 | 0 | 0 | 0 | 111.9 | L2 V39 L79 T107 V108 D109 S113 D114 F115 | L2-V111 HydrophobicContact CD1-CB 4.44Å; L2-V111 HydrophobicContact CD1-CG2 3.65Å; V39-V111 HydrophobicContact CG2-CG1 3.74Å; L79-V111 HydrophobicContact CD2-CG1 3.53Å; T107-V111 PolarHBondContact O-N 3.03Å; V108-V111 PolarHBondContact O-N 3.06Å; D109-V111 PolarHBondContact O-N 3.41Å; V111-S113 VanDerWaalsContact C-N 3.34Å; V111-D114 PolarHBondContact O-N 2.96Å; V111-F115 HydrophobicContact CG1-CD2 3.9Å; V111-F115 HydrophobicContact CG1-CE2 3.75Å; V111-F115 VanDerWaalsContact O-CD2 3.23Å; V111-F115 WeakPolarHBondContact O-CD2 3.35Å; V111-F115 PolarHBondContact O-N 3.48Å |
| 112 | M | 86.6 | Confident | 82.1 | Confident | 47 Ų | 47 | 54.7 Ų | 54.7 | 23% | 0.232 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.3 | -37.7 | 171.9 | -77.6 | -66 | -66.7 | 0 | 0 | 112.4 | C68 K70 L79 V108 D109 N110 F115 A116 | C68-M112 HydrophobicContact CB-SD 4.38Å; K70-M112 HydrophobicContact CB-CG 4.36Å; K70-M112 HydrophobicContact CD-CG 4.47Å; L79-M112 HydrophobicContact CD1-CG 3.73Å; L79-M112 HydrophobicContact CD1-SD 3.14Å; L79-M112 WeakPolarHBondContact CD1-SD 3.33Å; V108-M112 HydrophobicContact CG1-CG 4.46Å; V108-M112 WeakPolarHBondContact O-CG 3.28Å; V108-M112 PolarHBondContact O-N 3.22Å; D109-M112 PolarHBondContact O-N 2.81Å; N110-M112 VanDerWaalsContact C-N 3.34Å; N110-M112 PolarHBondContact O-N 3.04Å; M112-F115 PolarHBondContact O-N 3.39Å; M112-A116 WeakPolarHBondContact O-CB 3.5Å; M112-A116 PolarHBondContact O-N 2.99Å |
| 113 | S | 85.4 | Confident | 80.6 | Confident | 76 Ų | 76 | 61.6 Ų | 61.6 | 53% | 0.531 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -65.1 | -39.6 | 173.5 | -70.8 | 0 | 0 | 0 | 0 | 112 | D109 N110 V111 A116 Y117 | D109-S113 PolarHBondContact O-N 2.96Å; D109-S113 PolarHBondContact O-OG 3.04Å; N110-S113 WeakPolarHBondContact O-CB 3.13Å; N110-S113 PolarHBondContact O-N 3.28Å; N110-S113 VanDerWaalsContact O-N 3.15Å; V111-S113 VanDerWaalsContact C-N 3.34Å; S113-A116 PolarHBondContact O-N 3.04Å; S113-Y117 WeakPolarHBondContact O-CB 3.26Å; S113-Y117 PolarHBondContact O-N 2.83Å |
| 114 | D | 84.6 | Confident | 78.9 | Confident | 72 Ų | 72 | 63.2 Ų | 63.2 | 39% | 0.385 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.2 | -46.9 | 174.8 | -67.2 | -25.3 | 0 | 0 | 0 | 111.1 | V39 N110 V111 A116 Y117 V118 | V39-D114 HydrophobicContact CB-CB 4.04Å; V39-D114 HydrophobicContact CG1-CB 3.86Å; N110-D114 PolarHBondContact O-N 2.97Å; V111-D114 PolarHBondContact O-N 2.96Å; D114-A116 PolarHBondContact O-N 3.48Å; D114-Y117 PolarHBondContact O-N 3.46Å; D114-V118 WeakPolarHBondContact O-CG2 3.34Å; D114-V118 PolarHBondContact O-N 3.48Å |
| 115 | F | 85.8 | Confident | 76.9 | Confident | 4 Ų | 4 | 63.1 Ų | 63.1 | 2% | 0.018 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -58.5 | -45.7 | 173.2 | -84.7 | -66 | 0 | 0 | 0 | 112.3 | V39 V47 I65 L79 V111 M112 Y117 V118 F119 | V39-F115 HydrophobicContact CG1-CD1 4.27Å; V39-F115 HydrophobicContact CG1-CD2 4.48Å; V39-F115 HydrophobicContact CG1-CE1 4.28Å; V39-F115 HydrophobicContact CG1-CE2 4.47Å; V39-F115 HydrophobicContact CG1-CG 4.37Å; V39-F115 HydrophobicContact CG1-CZ 4.39Å; V39-F115 HydrophobicContact CG2-CD2 4.27Å; V39-F115 HydrophobicContact CG2-CE2 3.75Å; V39-F115 HydrophobicContact CG2-CZ 3.99Å; V47-F115 HydrophobicContact CG1-CZ 4.36Å; V47-F115 HydrophobicContact CG2-CE1 3.65Å; V47-F115 HydrophobicContact CG2-CZ 3.65Å; I65-F115 HydrophobicContact CD1-CE1 3.69Å; I65-F115 HydrophobicContact CD1-CZ 4.29Å; L79-F115 HydrophobicContact CD2-CE2 4.13Å; V111-F115 HydrophobicContact CG1-CD2 3.9Å; V111-F115 HydrophobicContact CG1-CE2 3.75Å; V111-F115 VanDerWaalsContact O-CD2 3.23Å; V111-F115 WeakPolarHBondContact O-CD2 3.35Å; V111-F115 PolarHBondContact O-N 3.48Å; M112-F115 PolarHBondContact O-N 3.39Å; F115-Y117 VanDerWaalsContact C-N 3.32Å; F115-Y117 PolarHBondContact O-N 3.4Å; F115-V118 PolarHBondContact O-N 2.87Å; F115-F119 HydrophobicContact CB-CD2 4.22Å; F115-F119 HydrophobicContact CB-CE2 3.95Å; F115-F119 AromaticContact CD1-CE2 3.69Å; F115-F119 HydrophobicContact CD1-CE2 3.69Å; F115-F119 AromaticContact CD1-CZ 3.88Å; F115-F119 HydrophobicContact CD1-CZ 3.88Å; F115-F119 HydrophobicContact CG-CE2 4.21Å; F115-F119 WeakPolarHBondContact O-CB 3.5Å; F115-F119 WeakPolarHBondContact O-CD2 3.43Å; F115-F119 WeakPolarHBondContact O-CG 3.21Å; F115-F119 PolarHBondContact O-N 2.88Å |
| 116 | A | 84.6 | Confident | 74.6 | Confident | 58 Ų | 58 | 66.5 Ų | 66.5 | 48% | 0.479 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -62.3 | -40 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | M112 S113 D114 A120 | M112-A116 WeakPolarHBondContact O-CB 3.5Å; M112-A116 PolarHBondContact O-N 2.99Å; S113-A116 PolarHBondContact O-N 3.04Å; D114-A116 PolarHBondContact O-N 3.48Å; A116-A120 WeakPolarHBondContact O-CB 3.44Å; A116-A120 PolarHBondContact O-N 3.13Å |
| 117 | Y | 83 | Confident | 72.2 | Confident | 145 Ų | 145 | 67.9 Ų | 67.9 | 57% | 0.569 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -62 | -47 | 175.9 | 177.6 | -101.1 | 0 | 0 | 0 | 111.8 | S113 D114 F115 A120 | S113-Y117 WeakPolarHBondContact O-CB 3.26Å; S113-Y117 PolarHBondContact O-N 2.83Å; D114-Y117 PolarHBondContact O-N 3.46Å; F115-Y117 VanDerWaalsContact C-N 3.32Å; F115-Y117 PolarHBondContact O-N 3.4Å; Y117-A120 PolarHBondContact O-N 3.29Å |
| 118 | V | 81.3 | Confident | 69.6 | Low | 1 Ų | 1 | 75.6 Ų | 75.6 | 1% | 0.006 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -68.2 | -41 | 179.4 | -176.8 | 0 | 0 | 0 | 0 | 111.8 | P40 L43 I62 D114 F115 A120 Q121 | P40-V118 WeakPolarHBondContact O-CG2 3.45Å; L43-V118 HydrophobicContact CD2-CG1 3.92Å; L43-V118 HydrophobicContact CG-CG1 4.02Å; I62-V118 HydrophobicContact CD1-CB 4.34Å; I62-V118 HydrophobicContact CD1-CG1 3.75Å; I62-V118 HydrophobicContact CD1-CG2 4.31Å; I62-V118 HydrophobicContact CG2-CG1 3.91Å; D114-V118 WeakPolarHBondContact O-CG2 3.34Å; D114-V118 PolarHBondContact O-N 3.48Å; F115-V118 PolarHBondContact O-N 2.87Å; V118-A120 VanDerWaalsContact C-N 3.34Å; V118-A120 PolarHBondContact O-N 2.68Å; V118-Q121 WeakPolarHBondContact O-CB 3.44Å; V118-Q121 PolarHBondContact O-N 2.84Å |
| 119 | F | 83 | Confident | 67 | Low | 58 Ų | 58 | 82.1 Ų | 82.1 | 25% | 0.254 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -68.2 | -31.6 | 178.8 | -66.3 | -45.1 | 0 | 0 | 0 | 112.9 | I62 I65 F115 Q121 K122 | I62-F119 HydrophobicContact CG2-CD1 4.31Å; I62-F119 HydrophobicContact CG2-CE1 3.72Å; I62-F119 HydrophobicContact CG2-CZ 4.48Å; I65-F119 HydrophobicContact CB-CZ 4.11Å; I65-F119 HydrophobicContact CG2-CZ 3.83Å; F115-F119 HydrophobicContact CB-CD2 4.22Å; F115-F119 HydrophobicContact CB-CE2 3.95Å; F115-F119 AromaticContact CD1-CE2 3.69Å; F115-F119 HydrophobicContact CD1-CE2 3.69Å; F115-F119 AromaticContact CD1-CZ 3.88Å; F115-F119 HydrophobicContact CD1-CZ 3.88Å; F115-F119 HydrophobicContact CG-CE2 4.21Å; F115-F119 WeakPolarHBondContact O-CB 3.5Å; F115-F119 WeakPolarHBondContact O-CD2 3.43Å; F115-F119 WeakPolarHBondContact O-CG 3.21Å; F115-F119 PolarHBondContact O-N 2.88Å; F119-Q121 PolarHBondContact O-N 3.48Å; F119-K122 VanDerWaalsContact O-CB 3.23Å; F119-K122 WeakPolarHBondContact O-CB 3.46Å; F119-K122 PolarHBondContact O-N 3.23Å |
| 120 | A | 76.8 | Confident | 64.4 | Low | 59 Ų | 59 | 87 Ų | 87 | 49% | 0.488 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64 | -27.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | A116 Y117 V118 K122 T124 | A116-A120 WeakPolarHBondContact O-CB 3.44Å; A116-A120 PolarHBondContact O-N 3.13Å; Y117-A120 PolarHBondContact O-N 3.29Å; V118-A120 VanDerWaalsContact C-N 3.34Å; V118-A120 PolarHBondContact O-N 2.68Å; A120-K122 VanDerWaalsContact C-N 3.26Å; A120-K122 PolarHBondContact O-N 3.13Å; A120-T124 PolarHBondContact O-OG1 3.38Å |
| 121 | Q | 70 | Confident | 61.8 | Low | 57 Ų | 57 | 88 Ų | 88 | 27% | 0.266 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -69.6 | -24.1 | 173.1 | -63.5 | 179.2 | 25.6 | 0 | 0 | 112.4 | K41 L43 V118 F119 D123 T124 A125 | K41-Q121 PolarHBondContact O-NE2 3.21Å; L43-Q121 HydrophobicContact CD1-CB 4.07Å; V118-Q121 WeakPolarHBondContact O-CB 3.44Å; V118-Q121 PolarHBondContact O-N 2.84Å; F119-Q121 PolarHBondContact O-N 3.48Å; Q121-D123 VanDerWaalsContact C-N 3.3Å; Q121-D123 PolarHBondContact O-N 3.43Å; Q121-T124 PolarHBondContact O-N 3.02Å; Q121-T124 PolarHBondContact O-OG1 2.95Å; Q121-A125 PolarHBondContact O-N 3.32Å |
| 122 | K | 62.8 | Low | 59.3 | Low | 105 Ų | 105 | 95.5 Ų | 95.5 | 46% | 0.457 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -67.2 | -34.4 | -178.8 | -162.6 | 176.4 | -179.8 | 176.7 | 0 | 111.2 | L43 F119 A120 T124 V126 | L43-K122 HydrophobicContact CD1-CB 4.03Å; L43-K122 HydrophobicContact CD1-CG 4.42Å; L43-K122 HydrophobicContact CD2-CB 3.99Å; L43-K122 HydrophobicContact CD2-CD 4.42Å; L43-K122 HydrophobicContact CD2-CG 4.27Å; F119-K122 VanDerWaalsContact O-CB 3.23Å; F119-K122 WeakPolarHBondContact O-CB 3.46Å; F119-K122 PolarHBondContact O-N 3.23Å; A120-K122 VanDerWaalsContact C-N 3.26Å; A120-K122 PolarHBondContact O-N 3.13Å; K122-T124 VanDerWaalsContact C-N 3.25Å; K122-T124 PolarHBondContact O-N 2.92Å; K122-V126 VanDerWaalsContact O-CG2 3.27Å; K122-V126 WeakPolarHBondContact O-CG2 3.38Å |
| 123 | D | 52.2 | Low | 56.6 | Low | 145 Ų | 145 | 102.1 Ų | 102.1 | 78% | 0.775 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | -16.7 | 177.9 | -69.1 | -26.5 | 0 | 0 | 0 | 112.9 | Q121 | Q121-D123 VanDerWaalsContact C-N 3.3Å; Q121-D123 PolarHBondContact O-N 3.43Å |
| 124 | T | 45.9 | Very low | 53.9 | Low | 119 Ų | 119 | 102.1 Ų | 102.1 | 73% | 0.73 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.3 | -15.8 | 179.2 | 5 | 0 | 0 | 0 | 0 | 114 | A120 Q121 K122 | A120-T124 PolarHBondContact O-OG1 3.38Å; Q121-T124 PolarHBondContact O-N 3.02Å; Q121-T124 PolarHBondContact O-OG1 2.95Å; K122-T124 VanDerWaalsContact C-N 3.25Å; K122-T124 PolarHBondContact O-N 2.92Å |
| 125 | A | 39.9 | Very low | 51.2 | Low | 65 Ų | 65 | 104.4 Ų | 104.4 | 54% | 0.537 | 60% | 0.602 | S | S | . | * | trans | -105.9 | 8.7 | -169.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q121 S127 | Q121-A125 PolarHBondContact O-N 3.32Å; A125-S127 PolarHBondContact O-N 2.97Å | ||
| 126 | V | 36.8 | Very low | 48.4 | Very low | 128 Ų | 128 | 111.7 Ų | 111.7 | 78% | 0.776 | 65% | 0.646 | S | S | * | * | trans | -74 | 28.7 | -174.5 | -167.9 | 0 | 0 | 0 | 0 | 113.9 | K122 | K122-V126 VanDerWaalsContact O-CG2 3.27Å; K122-V126 WeakPolarHBondContact O-CG2 3.38Å | ||
| 127 | S | 32 | Very low | 46 | Very low | 91 Ų | 91 | 113.1 Ų | 113.1 | 64% | 0.636 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -134.3 | 107.7 | 168.6 | 66 | 0 | 0 | 0 | 0 | 111.2 | A125 | A125-S127 PolarHBondContact O-N 2.97Š|
| 128 | K | 30.3 | Very low | 43.4 | Very low | 192 Ų | 192 | 112.6 Ų | 112.6 | 84% | 0.835 | 67% | 0.665 | S | S | * | * | S | Bend | trans | 76.7 | 103.2 | 167.5 | -52.6 | 171.8 | 178.6 | 175.2 | 0 | 115.5 | ||
| 129 | T | 31 | Very low | 41.1 | Very low | 138 Ų | 138 | 117.9 Ų | 117.9 | 85% | 0.847 | 70% | 0.7 | S | S | * | * | 155.5 | 138 | 111.3 | 44.1 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 130 | D | 30.1 | Very low | 39.4 | Very low | 152 Ų | 152 | 118.7 Ų | 118.7 | 81% | 0.813 | 71% | 0.712 | S | S | * | * | trans | -57.2 | 144.6 | 179.1 | -55.5 | -59.7 | 0 | 0 | 0 | 113.4 | ||||
| 131 | P | 31 | Very low | 38.5 | Very low | 124 Ų | 124 | 121.4 Ų | 121.4 | 81% | 0.805 | 72% | 0.723 | S | S | * | * | trans | -86.5 | 118.5 | 176.7 | 32.1 | -27.2 | 0 | 0 | 0 | 110.7 | ||||
| 132 | I | 32.4 | Very low | 38.8 | Very low | 170 Ų | 170 | 121.5 Ų | 121.5 | 87% | 0.872 | 73% | 0.728 | S | S | * | * | trans | -92.7 | 113.5 | 164.5 | -62.8 | 174.7 | 0 | 0 | 0 | 107.3 | ||||
| 133 | E | 30.3 | Very low | 39.8 | Very low | 185 Ų | 185 | 118.8 Ų | 118.8 | 86% | 0.864 | 72% | 0.719 | S | S | * | * | trans | -76.2 | 140 | 167.7 | -75.5 | -178.8 | 155.1 | 0 | 0 | 110.6 | ||||
| 134 | G | 28.8 | Very low | 41.4 | Very low | 77 Ų | 77 | 114.9 Ų | 114.9 | 79% | 0.794 | 70% | 0.703 | S | S | * | * | trans | 123.6 | 90.3 | 159.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 135 | C | 26.6 | Very low | 43.5 | Very low | 120 Ų | 120 | 109.3 Ų | 109.3 | 81% | 0.811 | 67% | 0.668 | S | S | * | * | -173.7 | 108.9 | 126.5 | -161.3 | 0 | 0 | 0 | 0 | 108.8 | S137 | C135-S137 PolarHBondContact O-N 3.01Š| |||
| 136 | V | 27.7 | Very low | 46 | Very low | 156 Ų | 156 | 108.2 Ų | 108.2 | 95% | 0.945 | 66% | 0.655 | S | S | * | * | trans | -81.5 | 104.2 | 163.5 | 178.5 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 137 | S | 33.2 | Very low | 48.6 | Very low | 89 Ų | 89 | 102.3 Ų | 102.3 | 62% | 0.622 | 62% | 0.619 | S | S | * | * | trans | -142.2 | 122 | 163.5 | -171 | 0 | 0 | 0 | 0 | 108.8 | C135 C139 | C135-S137 PolarHBondContact O-N 3.01Å; S137-C139 PolarHBondContact O-N 3.39Å | ||
| 138 | T | 28.6 | Very low | 51.6 | Low | 134 Ų | 134 | 99.2 Ų | 99.2 | 82% | 0.822 | 59% | 0.594 | S | S | * | * | trans | -44.9 | 114.8 | 168.9 | 37.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 139 | C | 33.2 | Very low | 54.5 | Low | 111 Ų | 111 | 90.1 Ų | 90.1 | 75% | 0.75 | 56% | 0.555 | S | S | * | * | trans | -158.7 | 129.1 | 163.9 | -106.5 | 0 | 0 | 0 | 0 | 109.7 | S137 T141 | S137-C139 PolarHBondContact O-N 3.39Å; C139-T141 PolarHBondContact O-N 2.88Å | ||
| 140 | C | 46.8 | Very low | 57.4 | Low | 75 Ų | 75 | 85.3 Ų | 85.3 | 51% | 0.507 | 52% | 0.523 | S | S | . | . | P | Polyproline II helix | trans | -46.8 | 123.7 | -176.6 | -68.4 | 0 | 0 | 0 | 0 | 112.6 | Q308 | C140-Q308 PolarHBondContact O-NE2 3.48Š|
| 141 | T | 59.1 | Low | 60.4 | Low | 116 Ų | 116 | 78.1 Ų | 78.1 | 71% | 0.712 | 48% | 0.484 | S | S | * | . | P | Polyproline II helix | trans | -60.5 | 130.2 | 173.8 | 46.9 | 0 | 0 | 0 | 0 | 109.8 | C139 L143 | C139-T141 PolarHBondContact O-N 2.88Å; T141-L143 PolarHBondContact O-N 3.39Å |
| 142 | P | 75.9 | Confident | 63.3 | Low | 59 Ų | 59 | 74.8 Ų | 74.8 | 38% | 0.383 | 46% | 0.459 | S | S | . | . | P | Polyproline II helix | trans | -59.8 | 138.7 | 176.8 | 23.7 | -31.5 | 0 | 0 | 0 | 110.6 | I307 V324 | P142-I307 CarbonylContact C-O 3.47Å; P142-I307 WeakPolarHBondContact CA-O 3.5Å; P142-V324 HydrophobicContact CB-CG2 4.45Å |
| 143 | L | 83.1 | Confident | 66.1 | Low | 49 Ų | 49 | 66.9 Ų | 66.9 | 26% | 0.257 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 117.4 | 175.6 | -60 | 171.8 | 0 | 0 | 0 | 108.5 | T141 F145 P192 E306 I307 F321 | T141-L143 PolarHBondContact O-N 3.39Å; L143-F145 HydrophobicContact CB-CD2 4.47Å; L143-F145 HydrophobicContact CB-CE2 3.55Å; L143-F145 HydrophobicContact CB-CZ 4.13Å; L143-F145 WeakPolarHBondContact O-CD2 3.48Å; L143-F145 WeakPolarHBondContact O-CE2 3.48Å; L143-P192 HydrophobicContact CB-CG 3.93Å; L143-P192 HydrophobicContact CD2-CB 4.33Å; L143-P192 HydrophobicContact CD2-CG 3.71Å; L143-P192 HydrophobicContact CG-CG 4.25Å; L143-E306 WeakPolarHBondContact O-CA 3.29Å; L143-I307 HydrophobicContact CB-CG1 4.03Å; L143-I307 PolarHBondContact N-O 2.93Å; L143-I307 PolarHBondContact O-N 3.04Å; L143-F321 HydrophobicContact CD1-CE1 4.23Å |
| 144 | S | 87.2 | Confident | 69 | Low | 63 Ų | 63 | 62 Ų | 62 | 44% | 0.441 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 135.8 | 178 | -47.3 | 0 | 0 | 0 | 0 | 111.9 | G191 P192 L305 | S144-G191 WeakPolarHBondContact O-CA 3.44Å; S144-P192 VanDerWaalsContact O-CD 3.27Å; S144-P192 WeakPolarHBondContact O-CD 3.42Å; S144-L305 CarbonylContact C-O 3.54Å; S144-L305 WeakPolarHBondContact CA-O 3.49Å |
| 145 | F | 90 | Very high | 72 | Confident | 2 Ų | 2 | 58.4 Ų | 58.4 | 1% | 0.009 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 149.1 | 178.8 | -58.1 | -104.8 | 0 | 0 | 0 | 109.5 | L143 F147 G190 P192 R193 L195 L305 I307 | L143-F145 HydrophobicContact CB-CD2 4.47Å; L143-F145 HydrophobicContact CB-CE2 3.55Å; L143-F145 HydrophobicContact CB-CZ 4.13Å; L143-F145 WeakPolarHBondContact O-CD2 3.48Å; L143-F145 WeakPolarHBondContact O-CE2 3.48Å; F145-F147 HydrophobicContact CB-CD2 4.33Å; F145-F147 HydrophobicContact CB-CE2 3.67Å; F145-F147 HydrophobicContact CB-CZ 4.39Å; F145-G190 WeakPolarHBondContact CA-O 3.35Å; F145-P192 HydrophobicContact CE1-CG 4.2Å; F145-P192 HydrophobicContact CE2-CG 4.28Å; F145-P192 HydrophobicContact CZ-CG 3.82Å; F145-R193 HydrophobicContact CE1-CG 4.09Å; F145-R193 WeakPolarHBondContact CE1-O 3.45Å; F145-R193 HydrophobicContact CZ-CG 4.21Å; F145-L195 HydrophobicContact CD1-CD1 3.84Å; F145-L195 HydrophobicContact CD1-CG 3.89Å; F145-L195 HydrophobicContact CD2-CD1 4.22Å; F145-L195 HydrophobicContact CE1-CD1 3.9Å; F145-L195 HydrophobicContact CE1-CD2 3.95Å; F145-L195 HydrophobicContact CE1-CG 3.6Å; F145-L195 HydrophobicContact CE2-CD1 4.3Å; F145-L195 HydrophobicContact CG-CD1 4.03Å; F145-L195 HydrophobicContact CZ-CD1 4.15Å; F145-L195 HydrophobicContact CZ-CD2 3.99Å; F145-L195 HydrophobicContact CZ-CG 4.07Å; F145-L305 HydrophobicContact CB-CB 4.25Å; F145-L305 PolarHBondContact N-O 3.46Å; F145-L305 PolarHBondContact O-N 2.98Å; F145-I307 HydrophobicContact CD2-CD1 4.28Å; F145-I307 HydrophobicContact CD2-CG1 4.23Å; F145-I307 HydrophobicContact CE2-CD1 3.48Å; F145-I307 VanDerWaalsContact CE2-CD1 3.48Å; F145-I307 HydrophobicContact CE2-CG1 3.58Å; F145-I307 HydrophobicContact CZ-CD1 3.95Å; F145-I307 HydrophobicContact CZ-CG1 4.46Å |
| 146 | V | 91.6 | Very high | 74.9 | Confident | 41 Ų | 41 | 56 Ų | 56 | 25% | 0.248 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 130.7 | 176.9 | -175.3 | 0 | 0 | 0 | 0 | 108.6 | Q188 L189 G190 Y303 | V146-Q188 CarbonylContact O-C 3.43Å; V146-L189 HydrophobicContact CB-CB 4.41Å; V146-L189 HydrophobicContact CG1-CB 4.23Å; V146-L189 HydrophobicContact CG1-CD1 4.41Å; V146-L189 PolarHBondContact O-N 3.47Å; V146-G190 PolarHBondContact N-O 3.17Å; V146-G190 PolarHBondContact O-N 2.85Å; V146-G190 VanDerWaalsContact O-N 3.15Å; V146-Y303 WeakPolarHBondContact CA-O 3.49Å |
| 147 | F | 92.7 | Very high | 77.6 | Confident | 4 Ų | 4 | 50.5 Ų | 50.5 | 2% | 0.018 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 155.1 | 179.1 | -67.6 | -90.8 | 0 | 0 | 0 | 110.7 | F145 V186 S187 Q188 L195 F267 F276 R302 Y303 L305 | F145-F147 HydrophobicContact CB-CD2 4.33Å; F145-F147 HydrophobicContact CB-CE2 3.67Å; F145-F147 HydrophobicContact CB-CZ 4.39Å; F147-V186 HydrophobicContact CD1-CG1 4.06Å; F147-S187 CarbonylContact C-O 3.57Å; F147-S187 VanDerWaalsContact CA-O 3.26Å; F147-S187 WeakPolarHBondContact CA-O 3.48Å; F147-Q188 HydrophobicContact CD1-CB 3.85Å; F147-Q188 HydrophobicContact CD1-CG 4.11Å; F147-Q188 HydrophobicContact CE1-CB 3.65Å; F147-Q188 HydrophobicContact CE1-CG 3.74Å; F147-Q188 HydrophobicContact CZ-CB 4.42Å; F147-Q188 HydrophobicContact CZ-CG 4.03Å; F147-L195 HydrophobicContact CE2-CD1 4.44Å; F147-L195 HydrophobicContact CZ-CD1 4.02Å; F147-F267 HydrophobicContact CD1-CZ 4.38Å; F147-F267 AromaticContact CE1-CE1 3.88Å; F147-F267 HydrophobicContact CE1-CE1 3.88Å; F147-F267 AromaticContact CE1-CZ 3.65Å; F147-F267 HydrophobicContact CE1-CZ 3.65Å; F147-F267 HydrophobicContact CZ-CE1 4.09Å; F147-F267 HydrophobicContact CZ-CE2 4.37Å; F147-F267 AromaticContact CZ-CZ 3.83Å; F147-F267 HydrophobicContact CZ-CZ 3.83Å; F147-F276 HydrophobicContact CB-CE1 3.62Å; F147-F276 HydrophobicContact CB-CZ 4.25Å; F147-F276 HydrophobicContact CD1-CE1 4.4Å; F147-F276 HydrophobicContact CD1-CZ 4.22Å; F147-F276 HydrophobicContact CD2-CE1 4.43Å; F147-F276 HydrophobicContact CD2-CZ 4.38Å; F147-F276 AromaticContact CG-CE1 3.93Å; F147-F276 HydrophobicContact CG-CE1 3.93Å; F147-F276 HydrophobicContact CG-CZ 4.04Å; F147-R302 CarbonylContact O-C 3.48Å; F147-R302 WeakPolarHBondContact O-CA 3.34Å; F147-Y303 PolarHBondContact N-O 3.28Å; F147-Y303 PolarHBondContact O-N 2.67Å; F147-L305 HydrophobicContact CD2-CB 4.3Å; F147-L305 HydrophobicContact CE2-CB 4.03Å; F147-L305 HydrophobicContact CE2-CD2 3.87Å |
| 148 | E | 93.2 | Very high | 79.9 | Confident | 27 Ų | 27 | 52.8 Ų | 52.8 | 13% | 0.126 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 122.5 | 172.9 | -174.6 | 177.7 | 91.3 | 0 | 0 | 109.1 | Q150 V186 S187 L189 V300 R302 | E148-Q150 HydrophobicContact CG-CG 4.32Å; E148-Q150 PolarHBondContact OE1-NE2 3.48Å; E148-V186 WeakPolarHBondContact O-CA 3.48Å; E148-S187 PolarHBondContact N-O 3.35Å; E148-S187 PolarHBondContact O-N 3.37Å; E148-L189 HydrophobicContact CB-CD1 3.69Å; E148-L189 HydrophobicContact CB-CD2 4.17Å; E148-L189 HydrophobicContact CB-CG 3.82Å; E148-L189 HydrophobicContact CG-CD1 4.47Å; E148-V300 HydrophobicContact CG-CB 4.26Å; E148-V300 HydrophobicContact CG-CG1 3.6Å; E148-R302 HydrophobicContact CG-CG 4.39Å; E148-R302 IonicContact OE2-NE 2.84Å; E148-R302 IonicContact OE2-NH2 2.71Å |
| 149 | A | 92.6 | Very high | 82.4 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 116.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109 | F184 I185 F276 V278 V300 E301 Y303 | A149-F184 HydrophobicContact CB-CE1 3.64Å; A149-F184 HydrophobicContact CB-CZ 3.76Å; A149-I185 CarbonylContact C-O 3.6Å; A149-I185 VanDerWaalsContact CA-O 3.3Å; A149-I185 WeakPolarHBondContact CA-O 3.49Å; A149-F276 HydrophobicContact CB-CB 4.32Å; A149-F276 HydrophobicContact CB-CD1 4.44Å; A149-V278 HydrophobicContact CB-CG2 3.97Å; A149-V300 CarbonylContact O-C 3.57Å; A149-V300 WeakPolarHBondContact O-CA 3.34Å; A149-E301 PolarHBondContact N-O 2.9Å; A149-E301 PolarHBondContact O-N 3.24Å; A149-Y303 HydrophobicContact CB-CD2 4.26Å; A149-Y303 HydrophobicContact CB-CE2 4.09Å |
| 150 | Q | 92.1 | Very high | 84.6 | Confident | 38 Ų | 38 | 51.8 Ų | 51.8 | 18% | 0.178 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 132 | 177.9 | -36.4 | -164.3 | -35.7 | 0 | 0 | 110.5 | E148 F184 I185 V299 V300 | E148-Q150 HydrophobicContact CG-CG 4.32Å; E148-Q150 PolarHBondContact OE1-NE2 3.48Å; Q150-F184 CarbonylContact O-C 3.52Å; Q150-F184 WeakPolarHBondContact O-CA 3.36Å; Q150-I185 HydrophobicContact CB-CB 4.18Å; Q150-I185 HydrophobicContact CG-CB 4.38Å; Q150-I185 PolarHBondContact N-O 3.02Å; Q150-I185 PolarHBondContact O-N 2.92Å; Q150-V299 CarbonylContact C-O 3.56Å; Q150-V299 WeakPolarHBondContact CA-O 3.37Å; Q150-V300 HydrophobicContact CB-CG1 3.93Å; Q150-V300 HydrophobicContact CG-CG1 3.52Å |
| 151 | L | 92.9 | Very high | 86.4 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 127.8 | 174.9 | 175.1 | 64.7 | 0 | 0 | 0 | 110.3 | I153 F172 V182 F184 V261 V278 V299 | L151-I153 HydrophobicContact CD1-CG1 4.34Å; L151-F172 HydrophobicContact CD2-CE2 3.95Å; L151-F172 HydrophobicContact CG-CE2 4.07Å; L151-F172 HydrophobicContact CG-CZ 4.38Å; L151-V182 HydrophobicContact CD1-CG1 3.59Å; L151-F184 HydrophobicContact CD1-CD2 4.19Å; L151-V261 HydrophobicContact CD1-CB 4.05Å; L151-V261 HydrophobicContact CD1-CG1 4.12Å; L151-V261 HydrophobicContact CD1-CG2 3.87Å; L151-V261 HydrophobicContact CD2-CB 4.16Å; L151-V261 HydrophobicContact CD2-CG2 3.76Å; L151-V278 HydrophobicContact CB-CB 4.17Å; L151-V278 HydrophobicContact CB-CG1 3.89Å; L151-V278 HydrophobicContact CB-CG2 4.37Å; L151-V278 HydrophobicContact CD2-CB 4.34Å; L151-V278 HydrophobicContact CD2-CG1 4.01Å; L151-V299 HydrophobicContact CB-CB 4.35Å; L151-V299 PolarHBondContact N-O 3.43Å |
| 152 | N | 91.7 | Very high | 87.6 | Confident | 54 Ų | 54 | 50.6 Ų | 50.6 | 29% | 0.289 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 140.1 | 172.9 | -76 | -54.5 | 0 | 0 | 0 | 110.4 | T183 | N152-T183 PolarHBondContact N-O 3.2Å; N152-T183 PolarHBondContact O-N 3.47Å |
| 153 | I | 91.9 | Very high | 88.1 | Confident | 4 Ų | 4 | 50.5 Ų | 50.5 | 2% | 0.021 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 129.6 | 179 | -57.2 | 177.7 | 0 | 0 | 0 | 109.1 | L151 S165 F172 L174 K180 V182 M259 | L151-I153 HydrophobicContact CD1-CG1 4.34Å; I153-S165 PolarHBondContact O-N 3.4Å; I153-F172 HydrophobicContact CB-CD1 4.39Å; I153-F172 HydrophobicContact CB-CE1 4.32Å; I153-F172 HydrophobicContact CD1-CD2 4.05Å; I153-F172 HydrophobicContact CD1-CE2 4.2Å; I153-F172 HydrophobicContact CD1-CG 4.22Å; I153-F172 HydrophobicContact CG1-CE1 4.42Å; I153-F172 HydrophobicContact CG1-CE2 4.45Å; I153-F172 HydrophobicContact CG1-CZ 4.34Å; I153-L174 HydrophobicContact CB-CD2 4.41Å; I153-L174 HydrophobicContact CD1-CD1 4.41Å; I153-L174 HydrophobicContact CG2-CD2 3.83Å; I153-K180 HydrophobicContact CG2-CB 4.06Å; I153-K180 HydrophobicContact CG2-CD 4.37Å; I153-V182 HydrophobicContact CG1-CG2 4.48Å; I153-M259 HydrophobicContact CD1-CE 3.33Å; I153-M259 HydrophobicContact CD1-SD 4.49Å |
| 154 | K | 91.1 | Very high | 88.2 | Confident | 82 Ų | 82 | 52.6 Ų | 52.6 | 36% | 0.357 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 147.2 | 170.4 | -59.5 | -176.9 | 176.2 | 175.4 | 0 | 109.3 | L162 C163 K180 L181 | K154-L162 HydrophobicContact CB-CB 4.11Å; K154-L162 HydrophobicContact CB-CD2 4.23Å; K154-L162 HydrophobicContact CD-CB 4.26Å; K154-C163 CarbonylContact C-O 3.59Å; K154-C163 VanDerWaalsContact CA-O 3.24Å; K154-C163 WeakPolarHBondContact CA-O 3.44Å; K154-K180 CarbonylContact O-C 3.48Å; K154-K180 VanDerWaalsContact O-CA 3.24Å; K154-K180 WeakPolarHBondContact O-CA 3.4Å; K154-L181 HydrophobicContact CB-CB 4.42Å; K154-L181 PolarHBondContact N-O 2.89Å; K154-L181 PolarHBondContact O-N 3.37Å |
| 155 | E | 90.2 | Very high | 88.1 | Confident | 3 Ų | 3 | 50.1 Ų | 50.1 | 1% | 0.014 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 141.1 | 177.9 | -72.4 | 174.6 | 110.6 | 0 | 0 | 110.1 | D157 L162 C163 S165 L174 R175 K180 | E155-D157 PolarHBondContact O-N 3.47Å; E155-L162 WeakPolarHBondContact O-CA 3.31Å; E155-C163 PolarHBondContact N-O 2.88Å; E155-C163 PolarHBondContact O-N 2.91Å; E155-S165 VanDerWaalsContact CD-OG 3.24Å; E155-S165 VanDerWaalsContact CG-OG 3.24Å; E155-S165 WeakPolarHBondContact CG-OG 3.22Å; E155-S165 PolarHBondContact OE2-OG 3.19Å; E155-L174 HydrophobicContact CG-CD2 4.47Å; E155-R175 PolarHBondContact OE1-N 3.46Å; E155-K180 HydrophobicContact CG-CD 4.3Å; E155-K180 HydrophobicContact CG-CG 4.02Å; E155-K180 WeakPolarHBondContact OE1-CE 3.41Å; E155-K180 IonicContact OE1-NZ 2.72Å |
| 156 | K | 89.1 | Confident | 87.7 | Confident | 69 Ų | 69 | 50.5 Ų | 50.5 | 30% | 0.3 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 124.8 | 169 | -75.3 | -174.5 | 179 | 167.1 | 0 | 109.6 | N161 L162 R178 E179 | K156-N161 CarbonylContact C-O 3.59Å; K156-N161 WeakPolarHBondContact CA-O 3.33Å; K156-L162 HydrophobicContact CG-CD2 3.74Å; K156-L162 HydrophobicContact CG-CG 4.32Å; K156-R178 PolarHBondContact O-NH1 2.84Å; K156-E179 HydrophobicContact CD-CB 4.21Å; K156-E179 WeakPolarHBondContact CE-OE1 3.36Å; K156-E179 PolarHBondContact N-O 2.92Å; K156-E179 VanDerWaalsContact NZ-CD 3.35Å; K156-E179 IonicContact NZ-OE1 2.7Å; K156-E179 PolarHBondContact NZ-OE1 2.94Å; K156-E179 IonicContact NZ-OE2 3.57Å; K156-E179 PolarHBondContact NZ-OE2 2.97Å |
| 157 | D | 83.6 | Confident | 87.1 | Confident | 40 Ų | 40 | 49.5 Ų | 49.5 | 21% | 0.214 | 27% | 0.269 | C | S | . | . | trans | -73.7 | 175.8 | 168.8 | 77.3 | 5.3 | 0 | 0 | 0 | 110.8 | E155 K159 G160 N161 | E155-D157 PolarHBondContact O-N 3.47Å; D157-K159 PolarHBondContact O-N 3.46Å; D157-K159 VanDerWaalsContact O-N 3.08Å; D157-K159 VanDerWaalsContact OD1-C 3.27Å; D157-K159 VanDerWaalsContact OD1-CA 3.28Å; D157-K159 WeakPolarHBondContact OD1-CA 3.34Å; D157-K159 WeakPolarHBondContact OD1-CB 3.43Å; D157-K159 PolarHBondContact OD1-N 3.35Å; D157-G160 PolarHBondContact O-N 3.24Å; D157-G160 PolarHBondContact OD1-N 2.9Å; D157-N161 PolarHBondContact N-O 2.89Å; D157-N161 PolarHBondContact OD1-N 2.85Å; D157-N161 WeakPolarHBondContact OD2-CB 3.42Å; D157-N161 PolarHBondContact OD2-ND2 3.37Å; D157-N161 VanDerWaalsContact OD2-ND2 3.17Å | ||
| 158 | D | 80.7 | Confident | 85.9 | Confident | 138 Ų | 138 | 53.9 Ų | 53.9 | 74% | 0.738 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -11.8 | -177.7 | -47.8 | -23.4 | 0 | 0 | 0 | 112.7 | R178 | D158-R178 IonicContact OD1-CZ 3.84Å; D158-R178 IonicContact OD1-NH1 3.05Å; D158-R178 PolarHBondContact OD1-NH1 3.47Å; D158-R178 IonicContact OD1-NH2 2.8Å; D158-R178 PolarHBondContact OD1-NH2 2.91Å; D158-R178 IonicContact OD2-NH2 2.81Å |
| 159 | K | 81.5 | Confident | 84.7 | Confident | 180 Ų | 180 | 58.7 Ų | 58.7 | 78% | 0.783 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.1 | 0.2 | 175.6 | -61.5 | 176.7 | 179.6 | 178.4 | 0 | 112.1 | D157 N161 | D157-K159 PolarHBondContact O-N 3.46Å; D157-K159 VanDerWaalsContact O-N 3.08Å; D157-K159 VanDerWaalsContact OD1-C 3.27Å; D157-K159 VanDerWaalsContact OD1-CA 3.28Å; D157-K159 WeakPolarHBondContact OD1-CA 3.34Å; D157-K159 WeakPolarHBondContact OD1-CB 3.43Å; D157-K159 PolarHBondContact OD1-N 3.35Å; K159-N161 WeakPolarHBondContact CB-ND2 3.46Å |
| 160 | G | 80.3 | Confident | 83.9 | Confident | 44 Ų | 44 | 60.8 Ų | 60.8 | 45% | 0.454 | 32% | 0.324 | S | S | . | . | S | Bend | trans | 81.7 | 5.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115 | D157 | D157-G160 PolarHBondContact O-N 3.24Å; D157-G160 PolarHBondContact OD1-N 2.9Å |
| 161 | N | 84.8 | Confident | 83.5 | Confident | 91 Ų | 91 | 59.6 Ų | 59.6 | 49% | 0.487 | 32% | 0.319 | S | S | . | . | trans | -81 | 144.2 | 175.5 | -50.3 | -59.9 | 0 | 0 | 0 | 110.8 | K156 D157 K159 C163 | K156-N161 CarbonylContact C-O 3.59Å; K156-N161 WeakPolarHBondContact CA-O 3.33Å; D157-N161 PolarHBondContact N-O 2.89Å; D157-N161 PolarHBondContact OD1-N 2.85Å; D157-N161 WeakPolarHBondContact OD2-CB 3.42Å; D157-N161 PolarHBondContact OD2-ND2 3.37Å; D157-N161 VanDerWaalsContact OD2-ND2 3.17Å; K159-N161 WeakPolarHBondContact CB-ND2 3.46Å; N161-C163 PolarHBondContact O-N 2.68Å | ||
| 162 | L | 83.8 | Confident | 83.4 | Confident | 74 Ų | 74 | 59.7 Ų | 59.7 | 39% | 0.387 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 112 | 178 | -72.1 | 161.4 | 0 | 0 | 0 | 111.3 | K154 E155 K156 L181 | K154-L162 HydrophobicContact CB-CB 4.11Å; K154-L162 HydrophobicContact CB-CD2 4.23Å; K154-L162 HydrophobicContact CD-CB 4.26Å; E155-L162 WeakPolarHBondContact O-CA 3.31Å; K156-L162 HydrophobicContact CG-CD2 3.74Å; K156-L162 HydrophobicContact CG-CG 4.32Å; L162-L181 HydrophobicContact CD1-CB 4.21Å; L162-L181 HydrophobicContact CD1-CD2 3.6Å; L162-L181 HydrophobicContact CD1-CG 4.41Å; L162-L181 HydrophobicContact CD2-CB 3.65Å |
| 163 | C | 85.4 | Confident | 83.3 | Confident | 58 Ų | 58 | 59 Ų | 59 | 39% | 0.392 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 134.8 | 176.6 | -67.7 | 0 | 0 | 0 | 0 | 110.3 | K154 E155 N161 S165 | K154-C163 CarbonylContact C-O 3.59Å; K154-C163 VanDerWaalsContact CA-O 3.24Å; K154-C163 WeakPolarHBondContact CA-O 3.44Å; E155-C163 PolarHBondContact N-O 2.88Å; E155-C163 PolarHBondContact O-N 2.91Å; N161-C163 PolarHBondContact O-N 2.68Å; C163-S165 PolarHBondContact O-N 2.99Å |
| 164 | S | 85.3 | Confident | 83.3 | Confident | 92 Ų | 92 | 58.8 Ų | 58.8 | 64% | 0.643 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 132.1 | 176.4 | -60 | 0 | 0 | 0 | 0 | 111.7 | ||
| 165 | S | 84.5 | Confident | 83.3 | Confident | 11 Ų | 11 | 56.6 Ų | 56.6 | 8% | 0.077 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -73.6 | 138.2 | 174.3 | -61.5 | 0 | 0 | 0 | 0 | 110.4 | I153 E155 C163 L174 | I153-S165 PolarHBondContact O-N 3.4Å; E155-S165 VanDerWaalsContact CD-OG 3.24Å; E155-S165 VanDerWaalsContact CG-OG 3.24Å; E155-S165 WeakPolarHBondContact CG-OG 3.22Å; E155-S165 PolarHBondContact OE2-OG 3.19Å; C163-S165 PolarHBondContact O-N 2.99Å; S165-L174 VanDerWaalsContact OG-CD2 3.24Å; S165-L174 WeakPolarHBondContact OG-CD2 3.38Å |
| 166 | P | 82.8 | Confident | 83.4 | Confident | 11 Ų | 11 | 60.9 Ų | 60.9 | 7% | 0.071 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -61.4 | 145.2 | 176.1 | -16.9 | 27 | 0 | 0 | 0 | 111.5 | K173 F291 L294 | P166-K173 HydrophobicContact CB-CB 4.23Å; P166-K173 HydrophobicContact CB-CD 4.37Å; P166-K173 HydrophobicContact CG-CB 4.36Å; P166-K173 PolarHBondContact O-N 3.49Å; P166-F291 HydrophobicContact CG-CB 3.41Å; P166-F291 VanDerWaalsContact CG-CB 3.41Å; P166-F291 HydrophobicContact CG-CD1 4.05Å; P166-F291 HydrophobicContact CG-CD2 3.49Å; P166-F291 VanDerWaalsContact CG-CD2 3.49Å; P166-F291 HydrophobicContact CG-CE2 4.22Å; P166-F291 HydrophobicContact CG-CG 3.39Å; P166-L294 HydrophobicContact CB-CB 4.25Å; P166-L294 HydrophobicContact CB-CD1 4.37Å |
| 167 | Q | 78.7 | Confident | 83.5 | Confident | 20 Ų | 20 | 60.5 Ų | 60.5 | 9% | 0.093 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 135.4 | 176.5 | -167.3 | -170.7 | -31.2 | 0 | 0 | 110.3 | C171 F172 G296 K297 V299 | Q167-C171 WeakPolarHBondContact CA-O 3.49Å; Q167-F172 HydrophobicContact CB-CD1 4.16Å; Q167-F172 HydrophobicContact CB-CE1 4.15Å; Q167-F172 HydrophobicContact CG-CD1 4.17Å; Q167-F172 HydrophobicContact CG-CE1 4.1Å; Q167-F172 HydrophobicContact CG-CZ 4.41Å; Q167-G296 WeakPolarHBondContact O-CA 3.41Å; Q167-K297 PolarHBondContact NE2-O 2.91Å; Q167-K297 PolarHBondContact OE1-O 2.79Å; Q167-V299 HydrophobicContact CG-CG2 4.43Å; Q167-V299 VanDerWaalsContact NE2-N 3.18Å |
| 168 | E | 68.3 | Low | 83.8 | Confident | 95 Ų | 95 | 60 Ų | 60 | 44% | 0.444 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 119.4 | 178.8 | -171.8 | 173.8 | -173.2 | 0 | 0 | 108.6 | C170 C171 K173 | E168-C170 PolarHBondContact O-N 2.96Å; E168-C171 PolarHBondContact N-O 3.41Å; E168-C171 WeakPolarHBondContact O-CA 3.36Å; E168-C171 WeakPolarHBondContact O-CB 3.36Å; E168-C171 PolarHBondContact O-N 3.39Å; E168-K173 VanDerWaalsContact OE2-CE 3.3Å; E168-K173 WeakPolarHBondContact OE2-CE 3.2Å; E168-K173 IonicContact OE2-NZ 3.57Å; E168-K173 PolarHBondContact OE2-NZ 2.92Å |
| 169 | K | 68.1 | Low | 84.3 | Confident | 129 Ų | 129 | 56.3 Ų | 56.3 | 56% | 0.561 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48 | 52.7 | 177.3 | -60.3 | -179.6 | -179.9 | 177.5 | 0 | 114.2 | C171 E368 | K169-C171 PolarHBondContact O-N 3Å; K169-E368 IonicContact NZ-OE1 3.31Å |
| 170 | C | 74.3 | Confident | 84.8 | Confident | 44 Ų | 44 | 47.8 Ų | 47.8 | 30% | 0.297 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.9 | 19.7 | -176 | -55 | 0 | 0 | 0 | 0 | 115 | E168 C280 R281 V299 | E168-C170 PolarHBondContact O-N 2.96Å; C170-C280 WeakPolarHBondContact O-CB 3.39Å; C170-R281 PolarHBondContact O-N 3.36Å; C170-V299 HydrophobicContact CB-CG1 4.46Å; C170-V299 HydrophobicContact CB-CG2 4.49Å |
| 171 | C | 85.3 | Confident | 85.4 | Confident | 13 Ų | 13 | 47.2 Ų | 47.2 | 9% | 0.088 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 118.7 | 173 | -171 | 0 | 0 | 0 | 0 | 110.8 | Q167 E168 K169 R281 | Q167-C171 WeakPolarHBondContact CA-O 3.49Å; E168-C171 PolarHBondContact N-O 3.41Å; E168-C171 WeakPolarHBondContact O-CA 3.36Å; E168-C171 WeakPolarHBondContact O-CB 3.36Å; E168-C171 PolarHBondContact O-N 3.39Å; K169-C171 PolarHBondContact O-N 3Å; C171-R281 CarbonylContact C-O 3.57Å; C171-R281 WeakPolarHBondContact CA-O 3.38Å; C171-R281 HydrophobicContact CB-CB 3.95Å |
| 172 | F | 89.6 | Confident | 85.8 | Confident | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.009 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 133.2 | 171.5 | -76.5 | -75.6 | 0 | 0 | 0 | 110.8 | L151 I153 Q167 L174 M259 C280 R281 V282 R283 V299 | L151-F172 HydrophobicContact CD2-CE2 3.95Å; L151-F172 HydrophobicContact CG-CE2 4.07Å; L151-F172 HydrophobicContact CG-CZ 4.38Å; I153-F172 HydrophobicContact CB-CD1 4.39Å; I153-F172 HydrophobicContact CB-CE1 4.32Å; I153-F172 HydrophobicContact CD1-CD2 4.05Å; I153-F172 HydrophobicContact CD1-CE2 4.2Å; I153-F172 HydrophobicContact CD1-CG 4.22Å; I153-F172 HydrophobicContact CG1-CE1 4.42Å; I153-F172 HydrophobicContact CG1-CE2 4.45Å; I153-F172 HydrophobicContact CG1-CZ 4.34Å; Q167-F172 HydrophobicContact CB-CD1 4.16Å; Q167-F172 HydrophobicContact CB-CE1 4.15Å; Q167-F172 HydrophobicContact CG-CD1 4.17Å; Q167-F172 HydrophobicContact CG-CE1 4.1Å; Q167-F172 HydrophobicContact CG-CZ 4.41Å; F172-L174 HydrophobicContact CB-CD2 4.14Å; F172-L174 HydrophobicContact CB-CG 4.09Å; F172-M259 HydrophobicContact CD2-CE 4.49Å; F172-C280 HydrophobicContact CD2-CB 4.41Å; F172-R281 PolarHBondContact N-O 2.91Å; F172-V282 HydrophobicContact CB-CG2 4.5Å; F172-V282 CarbonylContact O-C 3.56Å; F172-V282 WeakPolarHBondContact O-CA 3.45Å; F172-R283 PolarHBondContact O-N 3.46Å; F172-V299 HydrophobicContact CD2-CG2 4.13Å; F172-V299 HydrophobicContact CE2-CB 4.31Å; F172-V299 HydrophobicContact CE2-CG2 3.31Å; F172-V299 HydrophobicContact CZ-CG2 3.73Å |
| 173 | K | 89.7 | Confident | 86.2 | Confident | 39 Ų | 39 | 40.4 Ų | 40.4 | 17% | 0.17 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 109.1 | 168.8 | -60.5 | -173.9 | -176.5 | 170.9 | 0 | 107.5 | P166 E168 F285 F291 | P166-K173 HydrophobicContact CB-CB 4.23Å; P166-K173 HydrophobicContact CB-CD 4.37Å; P166-K173 HydrophobicContact CG-CB 4.36Å; P166-K173 PolarHBondContact O-N 3.49Å; E168-K173 VanDerWaalsContact OE2-CE 3.3Å; E168-K173 WeakPolarHBondContact OE2-CE 3.2Å; E168-K173 IonicContact OE2-NZ 3.57Å; E168-K173 PolarHBondContact OE2-NZ 2.92Å; K173-F285 HydrophobicContact CB-CD2 4.21Å; K173-F285 HydrophobicContact CB-CE2 3.64Å; K173-F285 HydrophobicContact CD-CE2 4.01Å; K173-F285 HydrophobicContact CD-CZ 4.09Å; K173-F285 HydrophobicContact CG-CE2 3.76Å; K173-F285 HydrophobicContact CG-CZ 4.32Å; K173-F291 HydrophobicContact CB-CE1 3.88Å; K173-F291 HydrophobicContact CB-CE2 4.33Å; K173-F291 HydrophobicContact CB-CZ 3.76Å; K173-F291 WeakPolarHBondContact O-CE2 3.35Å |
| 174 | L | 91.7 | Very high | 86.5 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 153.8 | -178 | -56.1 | -179.1 | 0 | 0 | 0 | 109.6 | I153 E155 S165 F172 K180 W237 V282 R283 I284 F285 | I153-L174 HydrophobicContact CB-CD2 4.41Å; I153-L174 HydrophobicContact CD1-CD1 4.41Å; I153-L174 HydrophobicContact CG2-CD2 3.83Å; E155-L174 HydrophobicContact CG-CD2 4.47Å; S165-L174 VanDerWaalsContact OG-CD2 3.24Å; S165-L174 WeakPolarHBondContact OG-CD2 3.38Å; F172-L174 HydrophobicContact CB-CD2 4.14Å; F172-L174 HydrophobicContact CB-CG 4.09Å; L174-K180 HydrophobicContact CD1-CD 3.94Å; L174-K180 HydrophobicContact CD2-CD 4.39Å; L174-W237 HydrophobicContact CD1-CH2 3.86Å; L174-W237 HydrophobicContact CD1-CZ3 3.67Å; L174-V282 HydrophobicContact CB-CG1 4.25Å; L174-V282 HydrophobicContact CD1-CG1 3.52Å; L174-V282 HydrophobicContact CG-CG1 3.79Å; L174-R283 PolarHBondContact N-O 2.93Å; L174-I284 HydrophobicContact CB-CD1 3.94Å; L174-I284 HydrophobicContact CD1-CD1 4.4Å; L174-I284 CarbonylContact O-C 3.52Å; L174-I284 WeakPolarHBondContact O-CA 3.42Å; L174-F285 PolarHBondContact O-N 3.38Å |
| 175 | R | 91.4 | Very high | 86.9 | Confident | 36 Ų | 36 | 34.2 Ų | 34.2 | 14% | 0.136 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 141.9 | 173.1 | -63.4 | 174.8 | -173.5 | 122.2 | -7.2 | 109.7 | E155 R178 K180 E289 F291 | E155-R175 PolarHBondContact OE1-N 3.46Å; R175-R178 HydrophobicContact CB-CG 4.23Å; R175-R178 VanDerWaalsContact CD-NE 3.29Å; R175-K180 WeakPolarHBondContact O-CE 3.44Å; R175-K180 PolarHBondContact O-NZ 3.48Å; R175-E289 PolarHBondContact NE-O 3.18Å; R175-E289 PolarHBondContact NH2-O 2.87Å; R175-F291 HydrophobicContact CG-CE2 3.83Å; R175-F291 HydrophobicContact CG-CZ 4.01Å |
| 176 | R | 92.4 | Very high | 87.3 | Confident | 92 Ų | 92 | 34 Ų | 34 | 35% | 0.347 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | 161.5 | 168.8 | 62.7 | -179.7 | -90.5 | -175.1 | -7 | 111.5 | R178 N248 I284 F285 E287 | R176-R178 PolarHBondContact O-N 3.4Å; R176-N248 VanDerWaalsContact CA-OD1 3.29Å; R176-N248 WeakPolarHBondContact CA-OD1 3.37Å; R176-N248 WeakPolarHBondContact CB-O 3.32Å; R176-I284 HydrophobicContact CB-CG2 3.89Å; R176-F285 WeakPolarHBondContact CG-O 3.49Å; R176-F285 PolarHBondContact N-O 3.39Å; R176-E287 HydrophobicContact CG-CB 4.13Å |
| 177 | S | 90.5 | Very high | 87.7 | Confident | 61 Ų | 61 | 33.8 Ų | 33.8 | 43% | 0.427 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.3 | -5.4 | 176.2 | -44.8 | 0 | 0 | 0 | 0 | 116.7 | N248 E287 | S177-N248 PolarHBondContact N-OD1 3.34Å; S177-E287 PolarHBondContact OG-OE2 2.92Å |
| 178 | R | 90 | Very high | 88.2 | Confident | 30 Ų | 30 | 34.9 Ų | 34.9 | 11% | 0.113 | 17% | 0.17 | C | C | . | . | trans | -94 | 127.7 | -179.8 | -63.4 | -168.2 | -176.5 | -119.3 | -4.4 | 111.9 | K156 D158 R175 R176 K180 P239 E287 | K156-R178 PolarHBondContact O-NH1 2.84Å; D158-R178 IonicContact OD1-CZ 3.84Å; D158-R178 IonicContact OD1-NH1 3.05Å; D158-R178 PolarHBondContact OD1-NH1 3.47Å; D158-R178 IonicContact OD1-NH2 2.8Å; D158-R178 PolarHBondContact OD1-NH2 2.91Å; D158-R178 IonicContact OD2-NH2 2.81Å; R175-R178 HydrophobicContact CB-CG 4.23Å; R175-R178 VanDerWaalsContact CD-NE 3.29Å; R176-R178 PolarHBondContact O-N 3.4Å; R178-K180 WeakPolarHBondContact O-CG 3.27Å; R178-K180 PolarHBondContact O-NZ 2.95Å; R178-P239 WeakPolarHBondContact O-CG 3.48Å; R178-E287 PolarHBondContact NE-O 2.83Å; R178-E287 PolarHBondContact NH2-O 2.98Å | ||
| 179 | E | 91.2 | Very high | 89.2 | Confident | 61 Ų | 61 | 34.6 Ų | 34.6 | 29% | 0.285 | 17% | 0.171 | S | C | . | . | trans | -61.6 | 137.9 | 172.2 | -161.5 | -171.3 | 109 | 0 | 0 | 110.7 | K156 L236 | K156-E179 HydrophobicContact CD-CB 4.21Å; K156-E179 WeakPolarHBondContact CE-OE1 3.36Å; K156-E179 PolarHBondContact N-O 2.92Å; K156-E179 VanDerWaalsContact NZ-CD 3.35Å; K156-E179 IonicContact NZ-OE1 2.7Å; K156-E179 PolarHBondContact NZ-OE1 2.94Å; K156-E179 IonicContact NZ-OE2 3.57Å; K156-E179 PolarHBondContact NZ-OE2 2.97Å; E179-L236 WeakPolarHBondContact OE1-CD2 3.26Å | ||
| 180 | K | 92.2 | Very high | 90 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 140.9 | -171 | -45.4 | -173.5 | 163 | 55.5 | 0 | 109.9 | I153 K154 E155 L174 R175 R178 W237 | I153-K180 HydrophobicContact CG2-CB 4.06Å; I153-K180 HydrophobicContact CG2-CD 4.37Å; K154-K180 CarbonylContact O-C 3.48Å; K154-K180 VanDerWaalsContact O-CA 3.24Å; K154-K180 WeakPolarHBondContact O-CA 3.4Å; E155-K180 HydrophobicContact CG-CD 4.3Å; E155-K180 HydrophobicContact CG-CG 4.02Å; E155-K180 WeakPolarHBondContact OE1-CE 3.41Å; E155-K180 IonicContact OE1-NZ 2.72Å; L174-K180 HydrophobicContact CD1-CD 3.94Å; L174-K180 HydrophobicContact CD2-CD 4.39Å; R175-K180 WeakPolarHBondContact O-CE 3.44Å; R175-K180 PolarHBondContact O-NZ 3.48Å; R178-K180 WeakPolarHBondContact O-CG 3.27Å; R178-K180 PolarHBondContact O-NZ 2.95Å; K180-W237 HydrophobicContact CB-CB 4.29Å; K180-W237 HydrophobicContact CB-CD2 4.3Å; K180-W237 HydrophobicContact CB-CE3 3.87Å; K180-W237 HydrophobicContact CD-CD2 4.02Å; K180-W237 HydrophobicContact CD-CE3 3.41Å; K180-W237 VanDerWaalsContact CD-CE3 3.41Å; K180-W237 HydrophobicContact CD-CH2 3.76Å; K180-W237 HydrophobicContact CD-CZ2 4.32Å; K180-W237 HydrophobicContact CD-CZ3 3.29Å; K180-W237 HydrophobicContact CG-CD2 4.39Å; K180-W237 HydrophobicContact CG-CE3 4.05Å; K180-W237 HydrophobicContact CG-CZ3 4.39Å; K180-W237 PolarHBondContact N-O 3.1Å; K180-W237 PolarHBondContact O-N 3.02Å |
| 181 | L | 92.9 | Very high | 90.3 | Very high | 33 Ų | 33 | 29.7 Ų | 29.7 | 17% | 0.173 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 110.6 | 169.9 | -171.7 | 77.2 | 0 | 0 | 0 | 108.1 | K154 L162 T234 L236 | K154-L181 HydrophobicContact CB-CB 4.42Å; K154-L181 PolarHBondContact N-O 2.89Å; K154-L181 PolarHBondContact O-N 3.37Å; L162-L181 HydrophobicContact CD1-CB 4.21Å; L162-L181 HydrophobicContact CD1-CD2 3.6Å; L162-L181 HydrophobicContact CD1-CG 4.41Å; L162-L181 HydrophobicContact CD2-CB 3.65Å; L181-T234 HydrophobicContact CD1-CG2 3.43Å; L181-T234 VanDerWaalsContact CD1-CG2 3.43Å; L181-T234 HydrophobicContact CD2-CG2 3.69Å; L181-T234 HydrophobicContact CG-CG2 3.44Å; L181-T234 VanDerWaalsContact CG-CG2 3.44Å; L181-L236 HydrophobicContact CB-CD2 4.43Å; L181-L236 HydrophobicContact CD1-CD2 3.54Å; L181-L236 HydrophobicContact CD1-CG 4.16Å |
| 182 | V | 93.3 | Very high | 90 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 122.3 | 177.7 | -175.5 | 0 | 0 | 0 | 0 | 108 | L151 I153 L203 L219 T234 A235 W237 V261 | L151-V182 HydrophobicContact CD1-CG1 3.59Å; I153-V182 HydrophobicContact CG1-CG2 4.48Å; V182-L203 HydrophobicContact CB-CD1 4.43Å; V182-L203 HydrophobicContact CG1-CD1 4.3Å; V182-L203 WeakPolarHBondContact O-CD1 3.32Å; V182-L219 HydrophobicContact CB-CD1 4.27Å; V182-L219 HydrophobicContact CG2-CD1 4.19Å; V182-T234 CarbonylContact O-C 3.43Å; V182-T234 VanDerWaalsContact O-CA 3.28Å; V182-T234 WeakPolarHBondContact O-CA 3.45Å; V182-A235 PolarHBondContact N-O 3.06Å; V182-A235 PolarHBondContact O-N 2.89Å; V182-W237 HydrophobicContact CG2-CB 3.95Å; V182-W237 HydrophobicContact CG2-CE3 3.98Å; V182-V261 HydrophobicContact CG1-CG1 4.02Å; V182-V261 HydrophobicContact CG1-CG2 4.35Å |
| 183 | T | 92.2 | Very high | 89.6 | Confident | 21 Ų | 21 | 38 Ų | 38 | 13% | 0.129 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 121.6 | 176.9 | -49.2 | 0 | 0 | 0 | 0 | 108.9 | N152 I185 V232 I233 | N152-T183 PolarHBondContact N-O 3.2Å; N152-T183 PolarHBondContact O-N 3.47Å; T183-I185 HydrophobicContact CG2-CD1 4.43Å; T183-I185 HydrophobicContact CG2-CG1 4.09Å; T183-V232 HydrophobicContact CG2-CG1 3.67Å; T183-I233 WeakPolarHBondContact CA-O 3.4Å |
| 184 | F | 93 | Very high | 89.3 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 123.7 | 177.1 | -157.2 | -82 | 0 | 0 | 0 | 108.7 | A149 Q150 L151 V186 L203 I233 V261 T263 F276 V278 | A149-F184 HydrophobicContact CB-CE1 3.64Å; A149-F184 HydrophobicContact CB-CZ 3.76Å; Q150-F184 CarbonylContact O-C 3.52Å; Q150-F184 WeakPolarHBondContact O-CA 3.36Å; L151-F184 HydrophobicContact CD1-CD2 4.19Å; F184-V186 HydrophobicContact CD1-CG2 3.95Å; F184-V186 HydrophobicContact CE1-CG2 3.86Å; F184-L203 HydrophobicContact CB-CD1 4.39Å; F184-L203 HydrophobicContact CB-CD2 3.36Å; F184-L203 HydrophobicContact CD2-CD2 4.33Å; F184-L203 HydrophobicContact CG-CD2 3.94Å; F184-I233 PolarHBondContact N-O 3.33Å; F184-I233 PolarHBondContact O-N 2.82Å; F184-V261 HydrophobicContact CD2-CB 4.19Å; F184-V261 HydrophobicContact CD2-CG1 3.69Å; F184-V261 HydrophobicContact CE2-CB 4.24Å; F184-V261 HydrophobicContact CE2-CG1 4.15Å; F184-V261 WeakPolarHBondContact CE2-O 3.42Å; F184-T263 HydrophobicContact CD1-CG2 3.6Å; F184-T263 HydrophobicContact CE1-CG2 3.59Å; F184-T263 HydrophobicContact CG-CG2 4.41Å; F184-T263 HydrophobicContact CZ-CG2 4.38Å; F184-F276 HydrophobicContact CE1-CB 3.82Å; F184-F276 HydrophobicContact CZ-CB 4.14Å; F184-V278 HydrophobicContact CE2-CB 3.89Å; F184-V278 HydrophobicContact CE2-CG2 3.55Å; F184-V278 HydrophobicContact CZ-CB 4.37Å; F184-V278 HydrophobicContact CZ-CG2 3.63Å |
| 185 | I | 92.4 | Very high | 88.9 | Confident | 21 Ų | 21 | 40.8 Ų | 40.8 | 11% | 0.108 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 119.1 | -174 | -52.8 | 176.9 | 0 | 0 | 0 | 107.9 | A149 Q150 T183 Q230 Y231 V232 | A149-I185 CarbonylContact C-O 3.6Å; A149-I185 VanDerWaalsContact CA-O 3.3Å; A149-I185 WeakPolarHBondContact CA-O 3.49Å; Q150-I185 HydrophobicContact CB-CB 4.18Å; Q150-I185 HydrophobicContact CG-CB 4.38Å; Q150-I185 PolarHBondContact N-O 3.02Å; Q150-I185 PolarHBondContact O-N 2.92Å; T183-I185 HydrophobicContact CG2-CD1 4.43Å; T183-I185 HydrophobicContact CG2-CG1 4.09Å; I185-Q230 HydrophobicContact CG2-CB 4.11Å; I185-Y231 WeakPolarHBondContact CA-O 3.37Å; I185-V232 HydrophobicContact CG1-CG1 4.23Å; I185-V232 HydrophobicContact CG1-CG2 4.17Å; I185-V232 HydrophobicContact CG2-CG2 4.14Å |
| 186 | V | 92.4 | Very high | 88.6 | Confident | 6 Ų | 6 | 43.7 Ų | 43.7 | 4% | 0.036 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 116.9 | 171.6 | -178 | 0 | 0 | 0 | 0 | 108.2 | F147 E148 F184 Y231 T263 F276 | F147-V186 HydrophobicContact CD1-CG1 4.06Å; E148-V186 WeakPolarHBondContact O-CA 3.48Å; F184-V186 HydrophobicContact CD1-CG2 3.95Å; F184-V186 HydrophobicContact CE1-CG2 3.86Å; V186-Y231 PolarHBondContact N-O 3.28Å; V186-Y231 PolarHBondContact O-N 2.82Å; V186-T263 HydrophobicContact CG2-CG2 4.16Å; V186-F276 HydrophobicContact CG1-CD1 4.06Å; V186-F276 HydrophobicContact CG1-CD2 4.24Å; V186-F276 HydrophobicContact CG1-CE1 3.84Å; V186-F276 HydrophobicContact CG1-CE2 4.03Å; V186-F276 HydrophobicContact CG1-CG 4.26Å; V186-F276 HydrophobicContact CG1-CZ 3.82Å; V186-F276 HydrophobicContact CG2-CB 4.19Å; V186-F276 HydrophobicContact CG2-CD1 4.39Å; V186-F276 HydrophobicContact CG2-CD2 4.12Å; V186-F276 HydrophobicContact CG2-CG 3.97Å |
| 187 | S | 91.6 | Very high | 88.3 | Confident | 6 Ų | 6 | 40.5 Ų | 40.5 | 4% | 0.042 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 131.1 | 179.4 | -54.6 | 0 | 0 | 0 | 0 | 109.7 | F147 E148 L189 Q230 | F147-S187 CarbonylContact C-O 3.57Å; F147-S187 VanDerWaalsContact CA-O 3.26Å; F147-S187 WeakPolarHBondContact CA-O 3.48Å; E148-S187 PolarHBondContact N-O 3.35Å; E148-S187 PolarHBondContact O-N 3.37Å; S187-L189 PolarHBondContact O-N 2.96Å; S187-Q230 WeakPolarHBondContact OG-CG 2.79Å |
| 188 | Q | 90.6 | Very high | 88.1 | Confident | 44 Ų | 44 | 43.7 Ų | 43.7 | 21% | 0.206 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 114.6 | 170 | -169.1 | -175 | -29.3 | 0 | 0 | 109 | V146 F147 G190 R193 | V146-Q188 CarbonylContact O-C 3.43Å; F147-Q188 HydrophobicContact CD1-CB 3.85Å; F147-Q188 HydrophobicContact CD1-CG 4.11Å; F147-Q188 HydrophobicContact CE1-CB 3.65Å; F147-Q188 HydrophobicContact CE1-CG 3.74Å; F147-Q188 HydrophobicContact CZ-CB 4.42Å; F147-Q188 HydrophobicContact CZ-CG 4.03Å; Q188-G190 WeakPolarHBondContact CG-O 3.42Å; Q188-G190 PolarHBondContact NE2-O 2.88Å; Q188-G190 VanDerWaalsContact NE2-O 3.16Å; Q188-R193 PolarHBondContact NE2-O 3.14Å |
| 189 | L | 88.1 | Confident | 87.9 | Confident | 89 Ų | 89 | 47.9 Ų | 47.9 | 47% | 0.466 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | -27.6 | 178.4 | -62.8 | -174.1 | 0 | 0 | 0 | 112.7 | V146 E148 S187 | V146-L189 HydrophobicContact CB-CB 4.41Å; V146-L189 HydrophobicContact CG1-CB 4.23Å; V146-L189 HydrophobicContact CG1-CD1 4.41Å; V146-L189 PolarHBondContact O-N 3.47Å; E148-L189 HydrophobicContact CB-CD1 3.69Å; E148-L189 HydrophobicContact CB-CD2 4.17Å; E148-L189 HydrophobicContact CB-CG 3.82Å; E148-L189 HydrophobicContact CG-CD1 4.47Å; S187-L189 PolarHBondContact O-N 2.96Å |
| 190 | G | 84.8 | Confident | 87.7 | Confident | 27 Ų | 27 | 45.4 Ų | 45.4 | 28% | 0.278 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.3 | 167.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | F145 V146 Q188 | F145-G190 WeakPolarHBondContact CA-O 3.35Å; V146-G190 PolarHBondContact N-O 3.17Å; V146-G190 PolarHBondContact O-N 2.85Å; V146-G190 VanDerWaalsContact O-N 3.15Å; Q188-G190 WeakPolarHBondContact CG-O 3.42Å; Q188-G190 PolarHBondContact NE2-O 2.88Å; Q188-G190 VanDerWaalsContact NE2-O 3.16Å |
| 191 | G | 81.4 | Confident | 87.5 | Confident | 42 Ų | 42 | 49.8 Ų | 49.8 | 43% | 0.433 | 28% | 0.276 | S | S | . | . | trans | 140.5 | 163.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | S144 R193 | S144-G191 WeakPolarHBondContact O-CA 3.44Å; G191-R193 PolarHBondContact O-N 3.02Å | ||
| 192 | P | 78 | Confident | 87.3 | Confident | 84 Ų | 84 | 48.3 Ų | 48.3 | 55% | 0.545 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -68.1 | -20.1 | -174 | 23.2 | -31.1 | 0 | 0 | 0 | 114 | L143 S144 F145 | L143-P192 HydrophobicContact CB-CG 3.93Å; L143-P192 HydrophobicContact CD2-CB 4.33Å; L143-P192 HydrophobicContact CD2-CG 3.71Å; L143-P192 HydrophobicContact CG-CG 4.25Å; S144-P192 VanDerWaalsContact O-CD 3.27Å; S144-P192 WeakPolarHBondContact O-CD 3.42Å; F145-P192 HydrophobicContact CE1-CG 4.2Å; F145-P192 HydrophobicContact CE2-CG 4.28Å; F145-P192 HydrophobicContact CZ-CG 3.82Å |
| 193 | R | 81.5 | Confident | 87.4 | Confident | 107 Ų | 107 | 48.3 Ų | 48.3 | 40% | 0.404 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -152.1 | 168.1 | 174.9 | 60.5 | -175.9 | -177.5 | -171 | -1.4 | 109.9 | F145 Q188 G191 F321 | F145-R193 HydrophobicContact CE1-CG 4.09Å; F145-R193 WeakPolarHBondContact CE1-O 3.45Å; F145-R193 HydrophobicContact CZ-CG 4.21Å; Q188-R193 PolarHBondContact NE2-O 3.14Å; G191-R193 PolarHBondContact O-N 3.02Å; R193-F321 VanDerWaalsContact NH2-CE1 3.35Å |
| 194 | S | 82.8 | Confident | 87.4 | Confident | 84 Ų | 84 | 48.2 Ų | 48.2 | 59% | 0.587 | 27% | 0.267 | S | S | * | . | P | Polyproline II helix | trans | -82.3 | 127.9 | 171.4 | -171.7 | 0 | 0 | 0 | 0 | 109.9 | ||
| 195 | L | 85.1 | Confident | 87.5 | Confident | 13 Ų | 13 | 48.2 Ų | 48.2 | 7% | 0.068 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -82.9 | 126.1 | 173.3 | -67.4 | 178.3 | 0 | 0 | 0 | 109.3 | F145 F147 F267 L305 I307 | F145-L195 HydrophobicContact CD1-CD1 3.84Å; F145-L195 HydrophobicContact CD1-CG 3.89Å; F145-L195 HydrophobicContact CD2-CD1 4.22Å; F145-L195 HydrophobicContact CE1-CD1 3.9Å; F145-L195 HydrophobicContact CE1-CD2 3.95Å; F145-L195 HydrophobicContact CE1-CG 3.6Å; F145-L195 HydrophobicContact CE2-CD1 4.3Å; F145-L195 HydrophobicContact CG-CD1 4.03Å; F145-L195 HydrophobicContact CZ-CD1 4.15Å; F145-L195 HydrophobicContact CZ-CD2 3.99Å; F145-L195 HydrophobicContact CZ-CG 4.07Å; F147-L195 HydrophobicContact CE2-CD1 4.44Å; F147-L195 HydrophobicContact CZ-CD1 4.02Å; L195-F267 HydrophobicContact CB-CB 4.31Å; L195-F267 HydrophobicContact CB-CD1 3.63Å; L195-F267 HydrophobicContact CB-CE1 4.21Å; L195-F267 HydrophobicContact CB-CG 4.14Å; L195-L305 HydrophobicContact CD1-CD2 3.7Å; L195-I307 HydrophobicContact CD1-CD1 4.38Å; L195-I307 HydrophobicContact CD2-CD1 4.23Å |
| 196 | V | 84.8 | Confident | 87.5 | Confident | 97 Ų | 97 | 47.5 Ų | 47.5 | 59% | 0.588 | 26% | 0.264 | S | S | * | . | P | Polyproline II helix | trans | -82 | 124.7 | 179.6 | -178.9 | 0 | 0 | 0 | 0 | 108.7 | E198 F267 A268 | V196-E198 PolarHBondContact O-N 3.32Å; V196-F267 CarbonylContact O-C 3.57Å; V196-F267 WeakPolarHBondContact O-CA 3.31Å; V196-A268 HydrophobicContact CB-CB 4.32Å; V196-A268 PolarHBondContact O-N 2.62Å |
| 197 | V | 86 | Confident | 87.4 | Confident | 24 Ų | 24 | 48.3 Ų | 48.3 | 15% | 0.145 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 114.9 | 171.9 | 177 | 0 | 0 | 0 | 0 | 108.7 | Y231 V265 F267 | V197-Y231 HydrophobicContact CB-CD2 3.92Å; V197-Y231 HydrophobicContact CB-CE2 3.97Å; V197-Y231 HydrophobicContact CB-CG 4.43Å; V197-Y231 HydrophobicContact CG1-CD1 4.4Å; V197-Y231 HydrophobicContact CG1-CD2 3.97Å; V197-Y231 HydrophobicContact CG1-CE1 4.13Å; V197-Y231 HydrophobicContact CG1-CE2 3.66Å; V197-Y231 HydrophobicContact CG1-CG 4.32Å; V197-Y231 HydrophobicContact CG2-CD2 3.97Å; V197-Y231 HydrophobicContact CG2-CE2 4.49Å; V197-Y231 HydrophobicContact CG2-CG 4.07Å; V197-V265 HydrophobicContact CB-CG1 4.23Å; V197-V265 HydrophobicContact CG1-CG1 3.56Å; V197-V265 HydrophobicContact CG2-CG1 3.74Å; V197-F267 HydrophobicContact CG2-CD1 3.9Å; V197-F267 HydrophobicContact CG2-CE1 3.56Å; V197-F267 HydrophobicContact CG2-CZ 4.42Å |
| 198 | E | 85 | Confident | 87 | Confident | 129 Ų | 129 | 48.1 Ų | 48.1 | 60% | 0.603 | 27% | 0.27 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.8 | -42.8 | 177.9 | -173 | 179 | 167.6 | 0 | 0 | 111 | V196 L266 A268 | V196-E198 PolarHBondContact O-N 3.32Å; E198-L266 PolarHBondContact N-O 3.4Å; E198-A268 HydrophobicContact CB-CB 4.42Å |
| 199 | K | 86.4 | Confident | 86.6 | Confident | 118 Ų | 118 | 47.4 Ų | 47.4 | 51% | 0.513 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 143.4 | -179.2 | -164.9 | 174.3 | -177.8 | 178 | 0 | 111.1 | F201 L266 | K199-F201 HydrophobicContact CD-CE1 4.33Å; K199-F201 HydrophobicContact CD-CZ 4.2Å; K199-L266 HydrophobicContact CB-CB 4.15Å; K199-L266 HydrophobicContact CB-CD2 4.38Å; K199-L266 PolarHBondContact N-O 3.41Å; K199-L266 PolarHBondContact O-N 3Å |
| 200 | C | 86.5 | Confident | 86 | Confident | 8 Ų | 8 | 49.6 Ų | 49.6 | 5% | 0.054 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 135.6 | 166.7 | 170.7 | 0 | 0 | 0 | 0 | 109.1 | G202 Q224 Y231 T263 D264 | C200-G202 VanDerWaalsContact C-N 3.31Å; C200-G202 PolarHBondContact SG-N 3.32Å; C200-Q224 PolarHBondContact O-NE2 3.22Å; C200-Q224 VanDerWaalsContact O-NE2 3.16Å; C200-Y231 HydrophobicContact CB-CE1 3.44Å; C200-Y231 VanDerWaalsContact CB-CE1 3.44Å; C200-Y231 WeakPolarHBondContact CB-OH 3.49Å; C200-T263 PolarHBondContact SG-OG1 3.08Å; C200-D264 WeakPolarHBondContact CA-O 3.45Å |
| 201 | F | 88 | Confident | 85.8 | Confident | 93 Ų | 93 | 49.9 Ų | 49.9 | 41% | 0.408 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 3.5 | -174.7 | -62.4 | -97.8 | 0 | 0 | 0 | 113.6 | K199 L218 D264 L266 P273 | K199-F201 HydrophobicContact CD-CE1 4.33Å; K199-F201 HydrophobicContact CD-CZ 4.2Å; F201-L218 WeakPolarHBondContact O-CD1 3.24Å; F201-D264 HydrophobicContact CB-CB 4.12Å; F201-D264 HydrophobicContact CD2-CB 3.69Å; F201-D264 WeakPolarHBondContact CD2-O 2.92Å; F201-D264 HydrophobicContact CG-CB 4.2Å; F201-D264 PolarHBondContact N-O 2.96Å; F201-L266 HydrophobicContact CE2-CB 4.18Å; F201-P273 HydrophobicContact CD2-CB 4.35Å; F201-P273 HydrophobicContact CE2-CB 3.7Å; F201-P273 HydrophobicContact CE2-CG 4.29Å; F201-P273 HydrophobicContact CZ-CB 4.42Å |
| 202 | G | 90.3 | Very high | 85.7 | Confident | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.01 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 98 | -174.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | C200 S222 T263 | C200-G202 VanDerWaalsContact C-N 3.31Å; C200-G202 PolarHBondContact SG-N 3.32Å; G202-S222 WeakPolarHBondContact CA-OG 3.42Å; G202-T263 PolarHBondContact O-OG1 3Å |
| 203 | L | 93.7 | Very high | 85.8 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 124.8 | -178.3 | -71.2 | 174.7 | 0 | 0 | 0 | 111.9 | V182 F184 L219 I233 A235 V261 | V182-L203 HydrophobicContact CB-CD1 4.43Å; V182-L203 HydrophobicContact CG1-CD1 4.3Å; V182-L203 WeakPolarHBondContact O-CD1 3.32Å; F184-L203 HydrophobicContact CB-CD1 4.39Å; F184-L203 HydrophobicContact CB-CD2 3.36Å; F184-L203 HydrophobicContact CD2-CD2 4.33Å; F184-L203 HydrophobicContact CG-CD2 3.94Å; L203-L219 HydrophobicContact CB-CB 4.44Å; L203-L219 HydrophobicContact CB-CD1 4.1Å; L203-L219 PolarHBondContact O-N 3.32Å; L203-I233 HydrophobicContact CD1-CB 4.49Å; L203-I233 HydrophobicContact CD1-CG2 4.12Å; L203-I233 HydrophobicContact CD2-CB 4.19Å; L203-I233 HydrophobicContact CD2-CG2 4.09Å; L203-I233 HydrophobicContact CG-CB 4.21Å; L203-I233 HydrophobicContact CG-CG2 3.64Å; L203-A235 HydrophobicContact CB-CB 4.15Å; L203-A235 HydrophobicContact CD1-CB 3.78Å; L203-A235 HydrophobicContact CG-CB 4.38Å; L203-V261 HydrophobicContact CD2-CG1 4.24Å |
| 204 | L | 93.6 | Very high | 85.9 | Confident | 20 Ų | 20 | 54.2 Ų | 54.2 | 11% | 0.105 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 134.6 | 172.4 | -61.6 | 170.6 | 0 | 0 | 0 | 109.1 | M216 Q217 L218 V261 A262 R275 | L204-M216 HydrophobicContact CB-CB 3.93Å; L204-M216 HydrophobicContact CB-CE 3.87Å; L204-M216 HydrophobicContact CB-SD 4.2Å; L204-Q217 CarbonylContact C-O 3.49Å; L204-Q217 WeakPolarHBondContact CA-O 3.31Å; L204-L218 HydrophobicContact CD2-CB 4Å; L204-L218 HydrophobicContact CD2-CD1 3.98Å; L204-V261 CarbonylContact O-C 3.57Å; L204-V261 VanDerWaalsContact O-CA 3.29Å; L204-V261 WeakPolarHBondContact O-CA 3.38Å; L204-A262 HydrophobicContact CB-CB 4.38Å; L204-A262 PolarHBondContact N-O 3.42Å; L204-A262 PolarHBondContact O-N 3.28Å; L204-R275 VanDerWaalsContact CD1-CZ 3.47Å |
| 205 | L | 94.2 | Very high | 86 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 137.1 | 176.9 | 175.7 | 66.4 | 0 | 0 | 0 | 109.9 | Q217 L219 W237 Y244 L247 M259 V261 | L205-Q217 PolarHBondContact N-O 3.28Å; L205-Q217 PolarHBondContact O-N 2.92Å; L205-L219 HydrophobicContact CB-CD1 4.08Å; L205-L219 HydrophobicContact CB-CD2 4.15Å; L205-L219 HydrophobicContact CB-CG 4.01Å; L205-L219 HydrophobicContact CD2-CD1 4.46Å; L205-L219 HydrophobicContact CD2-CD2 4.03Å; L205-W237 HydrophobicContact CD2-CB 4.4Å; L205-W237 HydrophobicContact CD2-CD2 3.45Å; L205-W237 VanDerWaalsContact CD2-CD2 3.45Å; L205-W237 HydrophobicContact CD2-CE3 3.89Å; L205-W237 HydrophobicContact CD2-CG 3.63Å; L205-W237 HydrophobicContact CD2-CZ2 4.25Å; L205-W237 HydrophobicContact CD2-CZ3 4.43Å; L205-Y244 HydrophobicContact CB-CE1 3.98Å; L205-Y244 HydrophobicContact CD2-CD1 3.79Å; L205-Y244 HydrophobicContact CD2-CE1 3.63Å; L205-Y244 HydrophobicContact CD2-CG 4.46Å; L205-Y244 HydrophobicContact CG-CD1 4.16Å; L205-Y244 HydrophobicContact CG-CE1 3.8Å; L205-L247 HydrophobicContact CD1-CD1 4.16Å; L205-L247 HydrophobicContact CD2-CD1 4.49Å; L205-L247 HydrophobicContact CG-CD1 4.37Å; L205-M259 HydrophobicContact CD1-CG 3.5Å; L205-M259 HydrophobicContact CD1-SD 3.61Å; L205-V261 HydrophobicContact CD1-CG2 3.75Å |
| 206 | A | 92.4 | Very high | 86.2 | Confident | 6 Ų | 6 | 54.9 Ų | 54.9 | 5% | 0.05 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 151.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | V211 M216 M259 T260 | A206-V211 HydrophobicContact CB-CB 4.15Å; A206-V211 HydrophobicContact CB-CG1 3.66Å; A206-V211 HydrophobicContact CB-CG2 3.98Å; A206-M216 HydrophobicContact CB-CB 4.32Å; A206-M216 HydrophobicContact CB-CE 4.37Å; A206-M216 HydrophobicContact CB-CG 3.99Å; A206-M259 WeakPolarHBondContact O-CA 3.44Å; A206-T260 PolarHBondContact N-O 2.82Å; A206-T260 PolarHBondContact O-N 3.02Å |
| 207 | A | 90.4 | Very high | 86.5 | Confident | 22 Ų | 22 | 54.2 Ų | 54.2 | 18% | 0.182 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 132.5 | 165.4 | 0 | 0 | 0 | 0 | 0 | 110 | V246 L247 | A207-V246 HydrophobicContact CB-CB 3.88Å; A207-V246 HydrophobicContact CB-CG1 3.81Å; A207-L247 HydrophobicContact CB-CD1 4.16Å; A207-L247 HydrophobicContact CB-CD2 4.23Å; A207-L247 HydrophobicContact CB-CG 3.85Å |
| 208 | G | 83.5 | Confident | 86.8 | Confident | 2 Ų | 2 | 57.6 Ų | 57.6 | 2% | 0.021 | 31% | 0.306 | C | S | . | . | S | Bend | trans | 112.4 | 172 | 177 | 0 | 0 | 0 | 0 | 0 | 114.6 | V211 F258 T260 N346 | G208-V211 WeakPolarHBondContact O-CG2 3.21Å; G208-F258 VanDerWaalsContact C-CB 3.46Å; G208-F258 PolarHBondContact N-O 3.23Å; G208-T260 PolarHBondContact O-N 3.43Å; G208-T260 PolarHBondContact O-OG1 2.95Å; G208-N346 CarbonylContact C-O 3.52Å; G208-N346 WeakPolarHBondContact CA-O 3.05Å |
| 209 | R | 82.3 | Confident | 87.1 | Confident | 29 Ų | 29 | 51.8 Ų | 51.8 | 11% | 0.109 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -104.7 | 153.1 | 170.9 | 63.4 | 175 | 177.1 | 167.8 | 3.2 | 110.7 | V211 F258 V345 N346 | R209-V211 PolarHBondContact O-N 3.39Å; R209-F258 HydrophobicContact CB-CB 4.12Å; R209-F258 HydrophobicContact CB-CD1 4.35Å; R209-F258 HydrophobicContact CB-CD2 4.15Å; R209-F258 HydrophobicContact CB-CG 3.97Å; R209-F258 HydrophobicContact CG-CD2 3.9Å; R209-F258 HydrophobicContact CG-CE2 4.17Å; R209-F258 HydrophobicContact CG-CG 4.25Å; R209-V345 PolarHBondContact NE-O 2.89Å; R209-V345 VanDerWaalsContact NH2-CG1 3.35Å; R209-V345 PolarHBondContact NH2-O 3.17Å; R209-N346 HydrophobicContact CG-CB 4.44Å; R209-N346 WeakPolarHBondContact CG-O 3.41Å; R209-N346 PolarHBondContact N-O 2.82Å |
| 210 | N | 75.8 | Confident | 86.5 | Confident | 136 Ų | 136 | 52.2 Ų | 52.2 | 73% | 0.727 | 29% | 0.287 | S | S | * | . | S | Bend | trans | 51.7 | 39.2 | -178.6 | -58.3 | -33.4 | 0 | 0 | 0 | 112.4 | ||
| 211 | V | 81.3 | Confident | 85.5 | Confident | 33 Ų | 33 | 59.2 Ų | 59.2 | 20% | 0.2 | 32% | 0.319 | C | S | . | . | trans | -67.5 | 132.2 | -179.1 | -174.6 | 0 | 0 | 0 | 0 | 108.7 | A206 G208 R209 D215 M216 | A206-V211 HydrophobicContact CB-CB 4.15Å; A206-V211 HydrophobicContact CB-CG1 3.66Å; A206-V211 HydrophobicContact CB-CG2 3.98Å; G208-V211 WeakPolarHBondContact O-CG2 3.21Å; R209-V211 PolarHBondContact O-N 3.39Å; V211-D215 HydrophobicContact CG1-CB 3.67Å; V211-M216 HydrophobicContact CB-CG 4.36Å; V211-M216 HydrophobicContact CG1-CG 3.94Å | ||
| 212 | K | 78.8 | Confident | 84.4 | Confident | 155 Ų | 155 | 56.7 Ų | 56.7 | 67% | 0.674 | 31% | 0.313 | S | S | * | . | trans | -64.9 | 146.5 | 176.9 | -63.5 | 178.3 | 179.4 | 177.2 | 0 | 109.3 | A214 D215 | K212-A214 PolarHBondContact O-N 3.27Å; K212-D215 PolarHBondContact O-N 3.03Å | ||
| 213 | S | 80.3 | Confident | 83.4 | Confident | 76 Ų | 76 | 63.8 Ų | 63.8 | 53% | 0.531 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | -54.2 | -32.4 | -179.4 | -56.1 | 0 | 0 | 0 | 0 | 114 | D215 R275 | S213-D215 VanDerWaalsContact C-N 3.32Å; S213-D215 PolarHBondContact O-N 2.91Å; S213-R275 VanDerWaalsContact CA-NH1 3.34Å; S213-R275 PolarHBondContact OG-NH1 3.47Å; S213-R275 VanDerWaalsContact OG-NH1 3.14Å |
| 214 | A | 82.1 | Confident | 82.7 | Confident | 92 Ų | 92 | 68.2 Ų | 68.2 | 76% | 0.76 | 37% | 0.368 | S | S | * | . | G | 310 helix | trans | -72.6 | -19.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | K212 | K212-A214 PolarHBondContact O-N 3.27Š|
| 215 | D | 85.2 | Confident | 81.7 | Confident | 97 Ų | 97 | 69.4 Ų | 69.4 | 52% | 0.519 | 38% | 0.378 | S | S | . | . | G | 310 helix | trans | -93.3 | -10.7 | -177.7 | -59.2 | -32.2 | 0 | 0 | 0 | 111.9 | V211 K212 S213 | V211-D215 HydrophobicContact CG1-CB 3.67Å; K212-D215 PolarHBondContact O-N 3.03Å; S213-D215 VanDerWaalsContact C-N 3.32Å; S213-D215 PolarHBondContact O-N 2.91Å |
| 216 | M | 90 | Very high | 80.4 | Confident | 15 Ų | 15 | 74.4 Ų | 74.4 | 7% | 0.074 | 41% | 0.405 | C | S | . | . | P | Polyproline II helix | trans | -80.6 | 139.1 | 178.5 | -53.9 | -169.1 | 75 | 0 | 0 | 112.3 | L204 A206 V211 T260 A262 | L204-M216 HydrophobicContact CB-CB 3.93Å; L204-M216 HydrophobicContact CB-CE 3.87Å; L204-M216 HydrophobicContact CB-SD 4.2Å; A206-M216 HydrophobicContact CB-CB 4.32Å; A206-M216 HydrophobicContact CB-CE 4.37Å; A206-M216 HydrophobicContact CB-CG 3.99Å; V211-M216 HydrophobicContact CB-CG 4.36Å; V211-M216 HydrophobicContact CG1-CG 3.94Å; M216-T260 HydrophobicContact CE-CG2 3.88Å; M216-T260 WeakPolarHBondContact CE-O 3.44Å; M216-A262 HydrophobicContact CE-CB 3.67Å; M216-A262 HydrophobicContact SD-CB 3.93Å |
| 217 | Q | 91.5 | Very high | 78.8 | Confident | 82 Ų | 82 | 80.4 Ų | 80.4 | 38% | 0.383 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 130 | -177.2 | -58.5 | -60 | -47 | 0 | 0 | 110.7 | L204 L205 L219 P243 Y244 | L204-Q217 CarbonylContact C-O 3.49Å; L204-Q217 WeakPolarHBondContact CA-O 3.31Å; L205-Q217 PolarHBondContact N-O 3.28Å; L205-Q217 PolarHBondContact O-N 2.92Å; Q217-L219 PolarHBondContact O-N 3.42Å; Q217-P243 HydrophobicContact CG-CB 3.59Å; Q217-P243 HydrophobicContact CG-CG 4.1Å; Q217-Y244 HydrophobicContact CB-CE1 3.98Å; Q217-Y244 VanDerWaalsContact CB-OH 3.29Å; Q217-Y244 WeakPolarHBondContact CB-OH 3.44Å; Q217-Y244 HydrophobicContact CG-CE1 4.39Å |
| 218 | L | 91.8 | Very high | 77.3 | Confident | 96 Ų | 96 | 84.7 Ų | 84.7 | 50% | 0.503 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 124.7 | 173.7 | -172.9 | 68.6 | 0 | 0 | 0 | 109.8 | F201 L204 | F201-L218 WeakPolarHBondContact O-CD1 3.24Å; L204-L218 HydrophobicContact CD2-CB 4Å; L204-L218 HydrophobicContact CD2-CD1 3.98Å |
| 219 | L | 90.2 | Very high | 76.5 | Confident | 6 Ų | 6 | 86.9 Ų | 86.9 | 3% | 0.031 | 49% | 0.49 | C | S | . | . | P | Polyproline II helix | trans | -73.8 | 128.3 | 171.6 | -67.1 | 175 | 0 | 0 | 0 | 109.3 | V182 L203 L205 Q217 A235 W237 Y244 | V182-L219 HydrophobicContact CB-CD1 4.27Å; V182-L219 HydrophobicContact CG2-CD1 4.19Å; L203-L219 HydrophobicContact CB-CB 4.44Å; L203-L219 HydrophobicContact CB-CD1 4.1Å; L203-L219 PolarHBondContact O-N 3.32Å; L205-L219 HydrophobicContact CB-CD1 4.08Å; L205-L219 HydrophobicContact CB-CD2 4.15Å; L205-L219 HydrophobicContact CB-CG 4.01Å; L205-L219 HydrophobicContact CD2-CD1 4.46Å; L205-L219 HydrophobicContact CD2-CD2 4.03Å; Q217-L219 PolarHBondContact O-N 3.42Å; L219-A235 HydrophobicContact CB-CB 3.59Å; L219-A235 HydrophobicContact CD1-CB 4.03Å; L219-A235 HydrophobicContact CG-CB 4.48Å; L219-W237 HydrophobicContact CD1-CB 4.28Å; L219-W237 HydrophobicContact CD2-CB 3.83Å; L219-W237 HydrophobicContact CD2-CG 4.2Å; L219-Y244 HydrophobicContact CD2-CE2 4.1Å; L219-Y244 VanDerWaalsContact CD2-OH 3.3Å; L219-Y244 WeakPolarHBondContact CD2-OH 3.28Å |
| 220 | D | 74.6 | Confident | 76.4 | Confident | 128 Ų | 128 | 89.7 Ų | 89.7 | 68% | 0.684 | 50% | 0.504 | S | S | * | . | S | Bend | trans | -64 | 149 | 176.5 | -92.1 | -23.8 | 0 | 0 | 0 | 111.5 | ||
| 221 | Q | 65.7 | Low | 76.9 | Confident | 155 Ų | 155 | 84.1 Ų | 84.1 | 72% | 0.724 | 47% | 0.473 | S | S | * | . | trans | 60.2 | 57.3 | 173.6 | -55.4 | 179.1 | 9 | 0 | 0 | 114.7 | M223 | Q221-M223 PolarHBondContact O-N 3.21Š| ||
| 222 | S | 65.9 | Low | 77.4 | Confident | 40 Ų | 40 | 83.6 Ų | 83.6 | 28% | 0.28 | 47% | 0.47 | S | S | . | . | trans | -73.4 | 118.2 | 168.6 | 66.7 | 0 | 0 | 0 | 0 | 111.8 | G202 T234 | G202-S222 WeakPolarHBondContact CA-OG 3.42Å; S222-T234 CarbonylContact C-O 3.47Å; S222-T234 WeakPolarHBondContact CA-O 3.06Å | ||
| 223 | M | 69.3 | Low | 78 | Confident | 149 Ų | 149 | 76.2 Ų | 76.2 | 73% | 0.734 | 44% | 0.438 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 131.8 | 167.7 | -61.1 | -169.2 | 86.8 | 0 | 0 | 109.2 | Q221 T234 | Q221-M223 PolarHBondContact O-N 3.21Å; M223-T234 PolarHBondContact N-O 3.46Å; M223-T234 PolarHBondContact O-N 3.28Å |
| 224 | Q | 77.3 | Confident | 78.5 | Confident | 94 Ų | 94 | 74 Ų | 74 | 44% | 0.439 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 129.4 | -179.6 | -62.5 | 172.8 | -0.8 | 0 | 0 | 108.8 | C200 Y231 | C200-Q224 PolarHBondContact O-NE2 3.22Å; C200-Q224 VanDerWaalsContact O-NE2 3.16Å; Q224-Y231 VanDerWaalsContact CD-OH 3.27Å; Q224-Y231 PolarHBondContact OE1-OH 2.97Å |
| 225 | S | 72.7 | Confident | 79 | Confident | 45 Ų | 45 | 69.6 Ų | 69.6 | 32% | 0.315 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 131.2 | 168.9 | 77.7 | 0 | 0 | 0 | 0 | 109.9 | V232 | S225-V232 PolarHBondContact N-O 3.15Å; S225-V232 PolarHBondContact O-N 2.88Å |
| 226 | N | 67.1 | Low | 79.3 | Confident | 104 Ų | 104 | 67.6 Ų | 67.6 | 56% | 0.556 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 109.5 | 173.5 | -149.1 | -4 | 0 | 0 | 0 | 107.4 | Q230 Y231 | N226-Q230 PolarHBondContact OD1-O 2.85Å; N226-Y231 HydrophobicContact CB-CD2 4.19Å; N226-Y231 HydrophobicContact CB-CE2 4.43Å |
| 227 | Q | 59.2 | Low | 79.4 | Confident | 133 Ų | 133 | 66.9 Ų | 66.9 | 62% | 0.621 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 118.2 | 178.1 | -67.6 | -169.9 | 8.4 | 0 | 0 | 108.9 | G229 Q230 | Q227-G229 PolarHBondContact O-N 2.76Å; Q227-G229 VanDerWaalsContact O-N 3.16Å; Q227-Q230 PolarHBondContact N-O 3.01Å; Q227-Q230 WeakPolarHBondContact O-CB 3.28Å; Q227-Q230 PolarHBondContact O-N 3.43Å |
| 228 | A | 59.2 | Low | 79.4 | Confident | 112 Ų | 112 | 66 Ų | 66 | 93% | 0.926 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.7 | 48.3 | 165.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q230 | A228-Q230 VanDerWaalsContact C-N 3.29Å; A228-Q230 PolarHBondContact O-N 3.23Å |
| 229 | G | 66.4 | Low | 79.3 | Confident | 48 Ų | 48 | 61.6 Ų | 61.6 | 50% | 0.495 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.4 | 6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115 | Q227 | Q227-G229 PolarHBondContact O-N 2.76Å; Q227-G229 VanDerWaalsContact O-N 3.16Å |
| 230 | Q | 80.8 | Confident | 79.1 | Confident | 87 Ų | 87 | 65.3 Ų | 65.3 | 41% | 0.407 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 127.8 | 171.6 | -55.4 | -170.6 | -21.7 | 0 | 0 | 109.7 | I185 S187 N226 Q227 A228 | I185-Q230 HydrophobicContact CG2-CB 4.11Å; S187-Q230 WeakPolarHBondContact OG-CG 2.79Å; N226-Q230 PolarHBondContact OD1-O 2.85Å; Q227-Q230 PolarHBondContact N-O 3.01Å; Q227-Q230 WeakPolarHBondContact O-CB 3.28Å; Q227-Q230 PolarHBondContact O-N 3.43Å; A228-Q230 VanDerWaalsContact C-N 3.29Å; A228-Q230 PolarHBondContact O-N 3.23Å |
| 231 | Y | 86.2 | Confident | 79.8 | Confident | 19 Ų | 19 | 63 Ų | 63 | 8% | 0.075 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 109.1 | 175.8 | -161.9 | -96.8 | 0 | 0 | 0 | 109 | I185 V186 V197 C200 Q224 N226 I233 | I185-Y231 WeakPolarHBondContact CA-O 3.37Å; V186-Y231 PolarHBondContact N-O 3.28Å; V186-Y231 PolarHBondContact O-N 2.82Å; V197-Y231 HydrophobicContact CB-CD2 3.92Å; V197-Y231 HydrophobicContact CB-CE2 3.97Å; V197-Y231 HydrophobicContact CB-CG 4.43Å; V197-Y231 HydrophobicContact CG1-CD1 4.4Å; V197-Y231 HydrophobicContact CG1-CD2 3.97Å; V197-Y231 HydrophobicContact CG1-CE1 4.13Å; V197-Y231 HydrophobicContact CG1-CE2 3.66Å; V197-Y231 HydrophobicContact CG1-CG 4.32Å; V197-Y231 HydrophobicContact CG2-CD2 3.97Å; V197-Y231 HydrophobicContact CG2-CE2 4.49Å; V197-Y231 HydrophobicContact CG2-CG 4.07Å; C200-Y231 HydrophobicContact CB-CE1 3.44Å; C200-Y231 VanDerWaalsContact CB-CE1 3.44Å; C200-Y231 WeakPolarHBondContact CB-OH 3.49Å; Q224-Y231 VanDerWaalsContact CD-OH 3.27Å; Q224-Y231 PolarHBondContact OE1-OH 2.97Å; N226-Y231 HydrophobicContact CB-CD2 4.19Å; N226-Y231 HydrophobicContact CB-CE2 4.43Å; Y231-I233 HydrophobicContact CD1-CD1 3.77Å; Y231-I233 HydrophobicContact CD1-CG1 3.69Å; Y231-I233 HydrophobicContact CE1-CD1 3.99Å; Y231-I233 HydrophobicContact CE1-CG1 3.58Å |
| 232 | V | 90.9 | Very high | 80.8 | Confident | 23 Ų | 23 | 60.6 Ų | 60.6 | 14% | 0.139 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 119.2 | -175.3 | -177.3 | 0 | 0 | 0 | 0 | 108.9 | T183 I185 S225 | T183-V232 HydrophobicContact CG2-CG1 3.67Å; I185-V232 HydrophobicContact CG1-CG1 4.23Å; I185-V232 HydrophobicContact CG1-CG2 4.17Å; I185-V232 HydrophobicContact CG2-CG2 4.14Å; S225-V232 PolarHBondContact N-O 3.15Å; S225-V232 PolarHBondContact O-N 2.88Å |
| 233 | I | 91 | Very high | 81.7 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 127.6 | 174.7 | -49.2 | 126.7 | 0 | 0 | 0 | 107.6 | T183 F184 L203 Y231 T263 | T183-I233 WeakPolarHBondContact CA-O 3.4Å; F184-I233 PolarHBondContact N-O 3.33Å; F184-I233 PolarHBondContact O-N 2.82Å; L203-I233 HydrophobicContact CD1-CB 4.49Å; L203-I233 HydrophobicContact CD1-CG2 4.12Å; L203-I233 HydrophobicContact CD2-CB 4.19Å; L203-I233 HydrophobicContact CD2-CG2 4.09Å; L203-I233 HydrophobicContact CG-CB 4.21Å; L203-I233 HydrophobicContact CG-CG2 3.64Å; Y231-I233 HydrophobicContact CD1-CD1 3.77Å; Y231-I233 HydrophobicContact CD1-CG1 3.69Å; Y231-I233 HydrophobicContact CE1-CD1 3.99Å; Y231-I233 HydrophobicContact CE1-CG1 3.58Å; I233-T263 HydrophobicContact CD1-CG2 3.76Å; I233-T263 WeakPolarHBondContact CD1-OG1 2.8Å |
| 234 | T | 92 | Very high | 82.7 | Confident | 28 Ų | 28 | 55.1 Ų | 55.1 | 17% | 0.172 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 129.5 | -177 | -48.1 | 0 | 0 | 0 | 0 | 109.5 | L181 V182 S222 M223 | L181-T234 HydrophobicContact CD1-CG2 3.43Å; L181-T234 VanDerWaalsContact CD1-CG2 3.43Å; L181-T234 HydrophobicContact CD2-CG2 3.69Å; L181-T234 HydrophobicContact CG-CG2 3.44Å; L181-T234 VanDerWaalsContact CG-CG2 3.44Å; V182-T234 CarbonylContact O-C 3.43Å; V182-T234 VanDerWaalsContact O-CA 3.28Å; V182-T234 WeakPolarHBondContact O-CA 3.45Å; S222-T234 CarbonylContact C-O 3.47Å; S222-T234 WeakPolarHBondContact CA-O 3.06Å; M223-T234 PolarHBondContact N-O 3.46Å; M223-T234 PolarHBondContact O-N 3.28Å |
| 235 | A | 92.6 | Very high | 83.3 | Confident | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.008 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 152.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | V182 L203 L219 | V182-A235 PolarHBondContact N-O 3.06Å; V182-A235 PolarHBondContact O-N 2.89Å; L203-A235 HydrophobicContact CB-CB 4.15Å; L203-A235 HydrophobicContact CD1-CB 3.78Å; L203-A235 HydrophobicContact CG-CB 4.38Å; L219-A235 HydrophobicContact CB-CB 3.59Å; L219-A235 HydrophobicContact CD1-CB 4.03Å; L219-A235 HydrophobicContact CG-CB 4.48Å |
| 236 | L | 91.6 | Very high | 84 | Confident | 55 Ų | 55 | 57.4 Ų | 57.4 | 29% | 0.288 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 129 | 172.5 | -70.3 | 173 | 0 | 0 | 0 | 109.4 | E179 L181 | E179-L236 WeakPolarHBondContact OE1-CD2 3.26Å; L181-L236 HydrophobicContact CB-CD2 4.43Å; L181-L236 HydrophobicContact CD1-CD2 3.54Å; L181-L236 HydrophobicContact CD1-CG 4.16Å |
| 237 | W | 92 | Very high | 85.1 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 106.1 | 173.3 | 167.9 | 26 | 0 | 0 | 0 | 108.8 | L174 K180 V182 L205 L219 P239 Y244 L247 M259 | L174-W237 HydrophobicContact CD1-CH2 3.86Å; L174-W237 HydrophobicContact CD1-CZ3 3.67Å; K180-W237 HydrophobicContact CB-CB 4.29Å; K180-W237 HydrophobicContact CB-CD2 4.3Å; K180-W237 HydrophobicContact CB-CE3 3.87Å; K180-W237 HydrophobicContact CD-CD2 4.02Å; K180-W237 HydrophobicContact CD-CE3 3.41Å; K180-W237 VanDerWaalsContact CD-CE3 3.41Å; K180-W237 HydrophobicContact CD-CH2 3.76Å; K180-W237 HydrophobicContact CD-CZ2 4.32Å; K180-W237 HydrophobicContact CD-CZ3 3.29Å; K180-W237 HydrophobicContact CG-CD2 4.39Å; K180-W237 HydrophobicContact CG-CE3 4.05Å; K180-W237 HydrophobicContact CG-CZ3 4.39Å; K180-W237 PolarHBondContact N-O 3.1Å; K180-W237 PolarHBondContact O-N 3.02Å; V182-W237 HydrophobicContact CG2-CB 3.95Å; V182-W237 HydrophobicContact CG2-CE3 3.98Å; L205-W237 HydrophobicContact CD2-CB 4.4Å; L205-W237 HydrophobicContact CD2-CD2 3.45Å; L205-W237 VanDerWaalsContact CD2-CD2 3.45Å; L205-W237 HydrophobicContact CD2-CE3 3.89Å; L205-W237 HydrophobicContact CD2-CG 3.63Å; L205-W237 HydrophobicContact CD2-CZ2 4.25Å; L205-W237 HydrophobicContact CD2-CZ3 4.43Å; L219-W237 HydrophobicContact CD1-CB 4.28Å; L219-W237 HydrophobicContact CD2-CB 3.83Å; L219-W237 HydrophobicContact CD2-CG 4.2Å; W237-P239 HydrophobicContact CZ2-CB 4.44Å; W237-P239 WeakPolarHBondContact O-CD 3.46Å; W237-Y244 AromaticContact CD1-CD2 3.56Å; W237-Y244 AromaticContact CD1-CE2 3.86Å; W237-Y244 AromaticContact CD1-CG 3.91Å; W237-Y244 AromaticContact NE1-CD1 3.98Å; W237-Y244 AromaticContact NE1-CD2 3.43Å; W237-Y244 AromaticContact NE1-CG 3.33Å; W237-Y244 VanDerWaalsContact NE1-CG 3.33Å; W237-L247 HydrophobicContact CH2-CB 3.78Å; W237-L247 HydrophobicContact CH2-CD1 4.22Å; W237-L247 HydrophobicContact CZ2-CB 3.52Å; W237-L247 HydrophobicContact CZ2-CD1 4.16Å; W237-L247 HydrophobicContact CZ2-CG 4.49Å; W237-M259 HydrophobicContact CH2-SD 4.02Å; W237-M259 HydrophobicContact CZ3-SD 3.8Å |
| 238 | D | 91.3 | Very high | 86.8 | Confident | 64 Ų | 64 | 47.6 Ų | 47.6 | 34% | 0.342 | 29% | 0.292 | S | S | . | . | trans | -83.1 | 109.1 | 168 | -178.6 | -2.5 | 0 | 0 | 0 | 109.5 | S240 L241 Y244 | D238-S240 PolarHBondContact O-N 3.47Å; D238-S240 VanDerWaalsContact OD1-CB 3.25Å; D238-S240 WeakPolarHBondContact OD1-CB 3.35Å; D238-S240 PolarHBondContact OD1-N 2.91Å; D238-S240 PolarHBondContact OD1-OG 2.81Å; D238-S240 PolarHBondContact OD2-OG 3.4Å; D238-L241 HydrophobicContact CB-CD1 4.24Å; D238-L241 HydrophobicContact CB-CG 4.24Å; D238-L241 PolarHBondContact O-N 3.4Å; D238-Y244 WeakPolarHBondContact O-CD2 3.23Å | ||
| 239 | P | 89.1 | Confident | 88.2 | Confident | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.019 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -7.6 | -178.2 | 37.1 | -41.9 | 0 | 0 | 0 | 113.2 | R178 W237 L241 N248 | R178-P239 WeakPolarHBondContact O-CG 3.48Å; W237-P239 HydrophobicContact CZ2-CB 4.44Å; W237-P239 WeakPolarHBondContact O-CD 3.46Å; P239-L241 VanDerWaalsContact C-N 3.28Å; P239-N248 HydrophobicContact CB-CB 3.98Å; P239-N248 WeakPolarHBondContact O-CB 3.49Å; P239-N248 PolarHBondContact O-ND2 2.79Å |
| 240 | S | 86.5 | Confident | 89.3 | Confident | 83 Ų | 83 | 48.3 Ų | 48.3 | 58% | 0.58 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -15.6 | 177.8 | 76.3 | 0 | 0 | 0 | 0 | 113.4 | D238 | D238-S240 PolarHBondContact O-N 3.47Å; D238-S240 VanDerWaalsContact OD1-CB 3.25Å; D238-S240 WeakPolarHBondContact OD1-CB 3.35Å; D238-S240 PolarHBondContact OD1-N 2.91Å; D238-S240 PolarHBondContact OD1-OG 2.81Å; D238-S240 PolarHBondContact OD2-OG 3.4Å |
| 241 | L | 89 | Confident | 89.4 | Confident | 81 Ų | 81 | 44.6 Ų | 44.6 | 42% | 0.424 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -69.2 | 137.2 | 178.6 | -63.3 | 173.8 | 0 | 0 | 0 | 110.9 | D238 P239 P243 Y244 | D238-L241 HydrophobicContact CB-CD1 4.24Å; D238-L241 HydrophobicContact CB-CG 4.24Å; D238-L241 PolarHBondContact O-N 3.4Å; P239-L241 VanDerWaalsContact C-N 3.28Å; L241-P243 VanDerWaalsContact C-N 3.35Å; L241-P243 VanDerWaalsContact O-N 3.14Å; L241-Y244 HydrophobicContact CB-CD2 3.92Å; L241-Y244 HydrophobicContact CB-CE2 4.22Å; L241-Y244 HydrophobicContact CD1-CE2 4.13Å; L241-Y244 PolarHBondContact O-N 2.77Å |
| 242 | P | 86.2 | Confident | 89 | Confident | 104 Ų | 104 | 47.9 Ų | 47.9 | 68% | 0.675 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -50.7 | -39.2 | -174.3 | -26.8 | 32.5 | 0 | 0 | 0 | 116.2 | Y244 E245 | P242-Y244 PolarHBondContact O-N 2.85Å; P242-Y244 VanDerWaalsContact O-N 3.12Å; P242-E245 WeakPolarHBondContact O-CB 3.25Å; P242-E245 PolarHBondContact O-N 3.42Å |
| 243 | P | 86 | Confident | 88 | Confident | 67 Ų | 67 | 56.8 Ų | 56.8 | 44% | 0.435 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -64.2 | -18.8 | -179.6 | -22.1 | 33.7 | 0 | 0 | 0 | 114.8 | Q217 L241 | Q217-P243 HydrophobicContact CG-CB 3.59Å; Q217-P243 HydrophobicContact CG-CG 4.1Å; L241-P243 VanDerWaalsContact C-N 3.35Å; L241-P243 VanDerWaalsContact O-N 3.14Å |
| 244 | Y | 90.5 | Very high | 86.7 | Confident | 7 Ų | 7 | 62.9 Ų | 62.9 | 3% | 0.027 | 34% | 0.335 | C | S | . | . | G | 310 helix | trans | -103.3 | 7.5 | -177.3 | -50.2 | -51.8 | 0 | 0 | 0 | 113.2 | L205 Q217 L219 W237 D238 L241 P242 V246 L247 N248 | L205-Y244 HydrophobicContact CB-CE1 3.98Å; L205-Y244 HydrophobicContact CD2-CD1 3.79Å; L205-Y244 HydrophobicContact CD2-CE1 3.63Å; L205-Y244 HydrophobicContact CD2-CG 4.46Å; L205-Y244 HydrophobicContact CG-CD1 4.16Å; L205-Y244 HydrophobicContact CG-CE1 3.8Å; Q217-Y244 HydrophobicContact CB-CE1 3.98Å; Q217-Y244 VanDerWaalsContact CB-OH 3.29Å; Q217-Y244 WeakPolarHBondContact CB-OH 3.44Å; Q217-Y244 HydrophobicContact CG-CE1 4.39Å; L219-Y244 HydrophobicContact CD2-CE2 4.1Å; L219-Y244 VanDerWaalsContact CD2-OH 3.3Å; L219-Y244 WeakPolarHBondContact CD2-OH 3.28Å; W237-Y244 AromaticContact CD1-CD2 3.56Å; W237-Y244 AromaticContact CD1-CE2 3.86Å; W237-Y244 AromaticContact CD1-CG 3.91Å; W237-Y244 AromaticContact NE1-CD1 3.98Å; W237-Y244 AromaticContact NE1-CD2 3.43Å; W237-Y244 AromaticContact NE1-CG 3.33Å; W237-Y244 VanDerWaalsContact NE1-CG 3.33Å; D238-Y244 WeakPolarHBondContact O-CD2 3.23Å; L241-Y244 HydrophobicContact CB-CD2 3.92Å; L241-Y244 HydrophobicContact CB-CE2 4.22Å; L241-Y244 HydrophobicContact CD1-CE2 4.13Å; L241-Y244 PolarHBondContact O-N 2.77Å; P242-Y244 PolarHBondContact O-N 2.85Å; P242-Y244 VanDerWaalsContact O-N 3.12Å; Y244-V246 PolarHBondContact O-N 3.39Å; Y244-V246 VanDerWaalsContact O-N 3.14Å; Y244-L247 CarbonylContact O-C 3.55Å; Y244-L247 WeakPolarHBondContact O-CA 3.39Å; Y244-L247 PolarHBondContact O-N 3.16Å; Y244-N248 WeakPolarHBondContact O-CB 3.44Å; Y244-N248 PolarHBondContact O-N 2.94Å |
| 245 | E | 89.2 | Confident | 85.7 | Confident | 133 Ų | 133 | 63.6 Ų | 63.6 | 62% | 0.621 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -51.7 | -39.7 | -179.3 | -175.3 | 177 | -170.3 | 0 | 0 | 112.3 | P242 L247 N248 T249 | P242-E245 WeakPolarHBondContact O-CB 3.25Å; P242-E245 PolarHBondContact O-N 3.42Å; E245-L247 PolarHBondContact O-N 3.46Å; E245-N248 CarbonylContact O-C 3.5Å; E245-N248 PolarHBondContact O-N 2.83Å; E245-T249 PolarHBondContact O-N 3.17Å; E245-T249 PolarHBondContact O-OG1 2.89Å |
| 246 | V | 87.1 | Confident | 85.3 | Confident | 54 Ų | 54 | 64.9 Ų | 64.9 | 33% | 0.327 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -61.2 | -42.5 | 175.8 | 176.8 | 0 | 0 | 0 | 0 | 112 | A207 Y244 N248 V257 L347 | A207-V246 HydrophobicContact CB-CB 3.88Å; A207-V246 HydrophobicContact CB-CG1 3.81Å; Y244-V246 PolarHBondContact O-N 3.39Å; Y244-V246 VanDerWaalsContact O-N 3.14Å; V246-N248 PolarHBondContact O-N 3.02Å; V246-V257 HydrophobicContact CG1-CG1 4.38Å; V246-L347 HydrophobicContact CB-CD2 4.41Å; V246-L347 HydrophobicContact CG1-CD2 3.59Å; V246-L347 HydrophobicContact CG2-CD2 3.97Å |
| 247 | L | 90.8 | Very high | 85.1 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 33% | 0.334 | C | S | . | . | G | 310 helix | trans | -84 | 5.6 | 177.8 | -62.5 | 173.6 | 0 | 0 | 0 | 112.4 | L205 A207 W237 Y244 E245 V257 M259 I284 | L205-L247 HydrophobicContact CD1-CD1 4.16Å; L205-L247 HydrophobicContact CD2-CD1 4.49Å; L205-L247 HydrophobicContact CG-CD1 4.37Å; A207-L247 HydrophobicContact CB-CD1 4.16Å; A207-L247 HydrophobicContact CB-CD2 4.23Å; A207-L247 HydrophobicContact CB-CG 3.85Å; W237-L247 HydrophobicContact CH2-CB 3.78Å; W237-L247 HydrophobicContact CH2-CD1 4.22Å; W237-L247 HydrophobicContact CZ2-CB 3.52Å; W237-L247 HydrophobicContact CZ2-CD1 4.16Å; W237-L247 HydrophobicContact CZ2-CG 4.49Å; Y244-L247 CarbonylContact O-C 3.55Å; Y244-L247 WeakPolarHBondContact O-CA 3.39Å; Y244-L247 PolarHBondContact O-N 3.16Å; E245-L247 PolarHBondContact O-N 3.46Å; L247-V257 HydrophobicContact CD2-CG2 3.82Å; L247-M259 HydrophobicContact CD1-CB 4.31Å; L247-M259 HydrophobicContact CD1-CG 3.75Å; L247-M259 HydrophobicContact CD1-SD 3.84Å; L247-M259 HydrophobicContact CD2-CB 3.93Å; L247-M259 HydrophobicContact CD2-CG 4.24Å; L247-M259 HydrophobicContact CD2-SD 4.37Å; L247-I284 WeakPolarHBondContact O-CD1 3.42Å |
| 248 | N | 93.5 | Very high | 85 | Confident | 31 Ų | 31 | 63.3 Ų | 63.3 | 17% | 0.166 | 34% | 0.336 | C | S | . | . | G | 310 helix | trans | -120.4 | -1.6 | 175.5 | -163.2 | 30.5 | 0 | 0 | 0 | 113 | R176 S177 P239 Y244 E245 V246 | R176-N248 VanDerWaalsContact CA-OD1 3.29Å; R176-N248 WeakPolarHBondContact CA-OD1 3.37Å; R176-N248 WeakPolarHBondContact CB-O 3.32Å; S177-N248 PolarHBondContact N-OD1 3.34Å; P239-N248 HydrophobicContact CB-CB 3.98Å; P239-N248 WeakPolarHBondContact O-CB 3.49Å; P239-N248 PolarHBondContact O-ND2 2.79Å; Y244-N248 WeakPolarHBondContact O-CB 3.44Å; Y244-N248 PolarHBondContact O-N 2.94Å; E245-N248 CarbonylContact O-C 3.5Å; E245-N248 PolarHBondContact O-N 2.83Å; V246-N248 PolarHBondContact O-N 3.02Å |
| 249 | T | 89.6 | Confident | 85 | Confident | 78 Ų | 78 | 60.2 Ų | 60.2 | 48% | 0.479 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -94.1 | 128.8 | 177 | -59.7 | 0 | 0 | 0 | 0 | 109.2 | E245 T251 I284 | E245-T249 PolarHBondContact O-N 3.17Å; E245-T249 PolarHBondContact O-OG1 2.89Å; T249-T251 PolarHBondContact O-N 2.85Å; T249-I284 VanDerWaalsContact O-CB 3.25Å; T249-I284 WeakPolarHBondContact O-CB 3.21Å; T249-I284 WeakPolarHBondContact O-CG2 3.21Å |
| 250 | E | 88.8 | Confident | 85.2 | Confident | 97 Ų | 97 | 60.5 Ų | 60.5 | 45% | 0.453 | 32% | 0.321 | S | S | . | . | P | Polyproline II helix | trans | -54 | 124.7 | 178.5 | -171.6 | -178 | 170.5 | 0 | 0 | 110.8 | I284 | E250-I284 WeakPolarHBondContact CA-O 3.44Š|
| 251 | T | 84.1 | Confident | 85.5 | Confident | 9 Ų | 9 | 56.6 Ų | 56.6 | 6% | 0.055 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -83 | 130.1 | 178.9 | 50.2 | 0 | 0 | 0 | 0 | 109.6 | T249 V257 R283 I284 | T249-T251 PolarHBondContact O-N 2.85Å; T251-V257 HydrophobicContact CG2-CG1 4.03Å; T251-V257 HydrophobicContact CG2-CG2 4.09Å; T251-R283 WeakPolarHBondContact OG1-CG 3.18Å; T251-I284 HydrophobicContact CG2-CB 4.18Å; T251-I284 HydrophobicContact CG2-CG1 4.19Å; T251-I284 PolarHBondContact N-O 3.25Å; T251-I284 PolarHBondContact OG1-N 3.47Å; T251-I284 PolarHBondContact OG1-O 2.86Å |
| 252 | P | 78.2 | Confident | 85.8 | Confident | 87 Ų | 87 | 52.7 Ų | 52.7 | 57% | 0.565 | 27% | 0.273 | S | S | * | . | P | Polyproline II helix | trans | -46.4 | 152.4 | 169.4 | -28.2 | 30.4 | 0 | 0 | 0 | 113 | E254 T255 | P252-E254 PolarHBondContact O-N 3.43Å; P252-T255 HydrophobicContact CB-CG2 4.32Å; P252-T255 WeakPolarHBondContact CD-OG1 3.43Å; P252-T255 PolarHBondContact O-N 2.7Å; P252-T255 PolarHBondContact O-OG1 3.42Å |
| 253 | R | 69.4 | Low | 86.1 | Confident | 211 Ų | 211 | 47.8 Ų | 47.8 | 80% | 0.796 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | -34.5 | -170.4 | -75.5 | -174.2 | 172.5 | -163.8 | -1.5 | 114.3 | R256 R283 | R253-R256 PolarHBondContact O-NH1 3.34Å; R253-R283 PolarHBondContact O-NH1 2.93Å; R253-R283 PolarHBondContact O-NH2 3.21Å |
| 254 | E | 62.8 | Low | 86.4 | Confident | 128 Ų | 128 | 45.9 Ų | 45.9 | 60% | 0.598 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.6 | -11.3 | -174.6 | -66.1 | 170.8 | -164.6 | 0 | 0 | 113.5 | P252 P351 | P252-E254 PolarHBondContact O-N 3.43Å; E254-P351 WeakPolarHBondContact O-CB 3.5Å |
| 255 | T | 72.2 | Confident | 86.4 | Confident | 42 Ų | 42 | 45.6 Ų | 45.6 | 26% | 0.258 | 23% | 0.226 | S | C | . | . | trans | -102.3 | 152.8 | -176.1 | 63.5 | 0 | 0 | 0 | 0 | 111.5 | P252 | P252-T255 HydrophobicContact CB-CG2 4.32Å; P252-T255 WeakPolarHBondContact CD-OG1 3.43Å; P252-T255 PolarHBondContact O-N 2.7Å; P252-T255 PolarHBondContact O-OG1 3.42Å | ||
| 256 | R | 83.8 | Confident | 86.4 | Confident | 29 Ų | 29 | 40.6 Ų | 40.6 | 11% | 0.109 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 153.7 | 169.5 | -49.3 | -70.5 | 178.4 | -93.3 | -9.2 | 107.2 | R253 R281 V282 R283 A349 E355 | R253-R256 PolarHBondContact O-NH1 3.34Å; R256-R281 HydrophobicContact CB-CB 4.44Å; R256-V282 WeakPolarHBondContact CA-O 3.46Å; R256-R283 VanDerWaalsContact CZ-CD 3.41Å; R256-R283 VanDerWaalsContact NH1-CD 3.29Å; R256-A349 HydrophobicContact CB-CB 4.08Å; R256-A349 PolarHBondContact O-N 2.84Å; R256-E355 IonicContact NH2-OE2 3.31Å |
| 257 | V | 87.5 | Confident | 86.5 | Confident | 15 Ų | 15 | 38.2 Ų | 38.2 | 9% | 0.091 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 145.3 | 172.2 | -68.1 | 0 | 0 | 0 | 0 | 109 | V246 L247 T251 R281 V282 L347 | V246-V257 HydrophobicContact CG1-CG1 4.38Å; L247-V257 HydrophobicContact CD2-CG2 3.82Å; T251-V257 HydrophobicContact CG2-CG1 4.03Å; T251-V257 HydrophobicContact CG2-CG2 4.09Å; V257-R281 CarbonylContact O-C 3.52Å; V257-V282 HydrophobicContact CG2-CB 4.22Å; V257-V282 PolarHBondContact N-O 2.99Å; V257-V282 PolarHBondContact O-N 3.4Å; V257-L347 CarbonylContact C-O 3.52Å; V257-L347 WeakPolarHBondContact CA-O 3.48Å |
| 258 | F | 90 | Very high | 86.2 | Confident | 6 Ų | 6 | 39.6 Ų | 39.6 | 3% | 0.026 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 148.4 | 170.4 | -72.5 | -70.2 | 0 | 0 | 0 | 110.1 | G208 R209 C280 R281 L347 A349 | G208-F258 VanDerWaalsContact C-CB 3.46Å; G208-F258 PolarHBondContact N-O 3.23Å; R209-F258 HydrophobicContact CB-CB 4.12Å; R209-F258 HydrophobicContact CB-CD1 4.35Å; R209-F258 HydrophobicContact CB-CD2 4.15Å; R209-F258 HydrophobicContact CB-CG 3.97Å; R209-F258 HydrophobicContact CG-CD2 3.9Å; R209-F258 HydrophobicContact CG-CE2 4.17Å; R209-F258 HydrophobicContact CG-CG 4.25Å; F258-C280 WeakPolarHBondContact CA-O 3.27Å; F258-R281 HydrophobicContact CD1-CG 3.97Å; F258-R281 HydrophobicContact CE1-CG 3.72Å; F258-L347 PolarHBondContact N-O 2.78Å; F258-A349 HydrophobicContact CD1-CB 4.43Å; F258-A349 HydrophobicContact CD2-CB 4Å; F258-A349 HydrophobicContact CE1-CB 3.98Å; F258-A349 HydrophobicContact CE2-CB 3.54Å; F258-A349 HydrophobicContact CG-CB 4.43Å; F258-A349 HydrophobicContact CZ-CB 3.5Å |
| 259 | M | 92 | Very high | 85.6 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 130.5 | 172.7 | 179.1 | 175.1 | 70.1 | 0 | 0 | 108.2 | I153 F172 L205 A206 W237 L247 V261 C279 C280 V282 | I153-M259 HydrophobicContact CD1-CE 3.33Å; I153-M259 HydrophobicContact CD1-SD 4.49Å; F172-M259 HydrophobicContact CD2-CE 4.49Å; L205-M259 HydrophobicContact CD1-CG 3.5Å; L205-M259 HydrophobicContact CD1-SD 3.61Å; A206-M259 WeakPolarHBondContact O-CA 3.44Å; W237-M259 HydrophobicContact CH2-SD 4.02Å; W237-M259 HydrophobicContact CZ3-SD 3.8Å; L247-M259 HydrophobicContact CD1-CB 4.31Å; L247-M259 HydrophobicContact CD1-CG 3.75Å; L247-M259 HydrophobicContact CD1-SD 3.84Å; L247-M259 HydrophobicContact CD2-CB 3.93Å; L247-M259 HydrophobicContact CD2-CG 4.24Å; L247-M259 HydrophobicContact CD2-SD 4.37Å; M259-V261 HydrophobicContact CE-CG2 4.45Å; M259-V261 HydrophobicContact CG-CG2 4.47Å; M259-C279 WeakPolarHBondContact O-CA 3.44Å; M259-C280 VanDerWaalsContact CE-SG 3.57Å; M259-C280 PolarHBondContact N-O 2.79Å; M259-C280 PolarHBondContact O-N 2.98Å; M259-V282 HydrophobicContact CB-CG2 3.48Å; M259-V282 VanDerWaalsContact CB-CG2 3.48Å; M259-V282 HydrophobicContact CE-CG2 3.52Å; M259-V282 HydrophobicContact CG-CG2 4.31Å; M259-V282 HydrophobicContact SD-CG2 3.92Å |
| 260 | T | 92.4 | Very high | 85.3 | Confident | 9 Ų | 9 | 37.9 Ų | 37.9 | 6% | 0.055 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 123.2 | 175 | -58.1 | 0 | 0 | 0 | 0 | 108.7 | A206 G208 M216 | A206-T260 PolarHBondContact N-O 2.82Å; A206-T260 PolarHBondContact O-N 3.02Å; G208-T260 PolarHBondContact O-N 3.43Å; G208-T260 PolarHBondContact O-OG1 2.95Å; M216-T260 HydrophobicContact CE-CG2 3.88Å; M216-T260 WeakPolarHBondContact CE-O 3.44Å |
| 261 | V | 93.6 | Very high | 84.8 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 133.8 | 169.2 | -173.7 | 0 | 0 | 0 | 0 | 107.6 | L151 V182 F184 L203 L204 L205 M259 S277 V278 | L151-V261 HydrophobicContact CD1-CB 4.05Å; L151-V261 HydrophobicContact CD1-CG1 4.12Å; L151-V261 HydrophobicContact CD1-CG2 3.87Å; L151-V261 HydrophobicContact CD2-CB 4.16Å; L151-V261 HydrophobicContact CD2-CG2 3.76Å; V182-V261 HydrophobicContact CG1-CG1 4.02Å; V182-V261 HydrophobicContact CG1-CG2 4.35Å; F184-V261 HydrophobicContact CD2-CB 4.19Å; F184-V261 HydrophobicContact CD2-CG1 3.69Å; F184-V261 HydrophobicContact CE2-CB 4.24Å; F184-V261 HydrophobicContact CE2-CG1 4.15Å; F184-V261 WeakPolarHBondContact CE2-O 3.42Å; L203-V261 HydrophobicContact CD2-CG1 4.24Å; L204-V261 CarbonylContact O-C 3.57Å; L204-V261 VanDerWaalsContact O-CA 3.29Å; L204-V261 WeakPolarHBondContact O-CA 3.38Å; L205-V261 HydrophobicContact CD1-CG2 3.75Å; M259-V261 HydrophobicContact CE-CG2 4.45Å; M259-V261 HydrophobicContact CG-CG2 4.47Å; V261-S277 CarbonylContact O-C 3.57Å; V261-S277 VanDerWaalsContact O-CA 3.31Å; V261-S277 WeakPolarHBondContact O-CA 3.36Å; V261-V278 PolarHBondContact N-O 2.9Å; V261-V278 PolarHBondContact O-N 3.3Å |
| 262 | A | 93.4 | Very high | 84.9 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 160.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | L204 M216 R275 F276 | L204-A262 HydrophobicContact CB-CB 4.38Å; L204-A262 PolarHBondContact N-O 3.42Å; L204-A262 PolarHBondContact O-N 3.28Å; M216-A262 HydrophobicContact CE-CB 3.67Å; M216-A262 HydrophobicContact SD-CB 3.93Å; A262-R275 HydrophobicContact CB-CG 4.11Å; A262-F276 CarbonylContact C-O 3.52Å; A262-F276 WeakPolarHBondContact CA-O 3.43Å; A262-F276 WeakPolarHBondContact CB-O 3.45Å |
| 263 | T | 93.3 | Very high | 85.4 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 136.8 | 171.7 | -176.9 | 0 | 0 | 0 | 0 | 108.9 | F184 V186 C200 G202 I233 V265 R275 F276 | F184-T263 HydrophobicContact CD1-CG2 3.6Å; F184-T263 HydrophobicContact CE1-CG2 3.59Å; F184-T263 HydrophobicContact CG-CG2 4.41Å; F184-T263 HydrophobicContact CZ-CG2 4.38Å; V186-T263 HydrophobicContact CG2-CG2 4.16Å; C200-T263 PolarHBondContact SG-OG1 3.08Å; G202-T263 PolarHBondContact O-OG1 3Å; I233-T263 HydrophobicContact CD1-CG2 3.76Å; I233-T263 WeakPolarHBondContact CD1-OG1 2.8Å; T263-V265 HydrophobicContact CG2-CG2 4Å; T263-R275 WeakPolarHBondContact O-CA 3.42Å; T263-F276 HydrophobicContact CG2-CB 4.07Å; T263-F276 PolarHBondContact N-O 2.9Å; T263-F276 PolarHBondContact O-N 3.45Å |
| 264 | D | 91.9 | Very high | 86.5 | Confident | 28 Ų | 28 | 31 Ų | 31 | 15% | 0.15 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 127.1 | 170.9 | -63 | -26.6 | 0 | 0 | 0 | 108.5 | C200 F201 P273 R275 | C200-D264 WeakPolarHBondContact CA-O 3.45Å; F201-D264 HydrophobicContact CB-CB 4.12Å; F201-D264 HydrophobicContact CD2-CB 3.69Å; F201-D264 WeakPolarHBondContact CD2-O 2.92Å; F201-D264 HydrophobicContact CG-CB 4.2Å; F201-D264 PolarHBondContact N-O 2.96Å; D264-P273 HydrophobicContact CB-CB 4.35Å; D264-R275 WeakPolarHBondContact OD1-CA 3.38Å; D264-R275 WeakPolarHBondContact OD1-CB 3.43Å; D264-R275 VanDerWaalsContact OD1-CG 3.27Å; D264-R275 WeakPolarHBondContact OD1-CG 3.39Å; D264-R275 IonicContact OD1-CZ 2.76Å; D264-R275 IonicContact OD1-NE 3.63Å; D264-R275 PolarHBondContact OD1-NE 2.97Å; D264-R275 IonicContact OD1-NH2 3.08Å; D264-R275 PolarHBondContact OD1-NH2 3.4Å; D264-R275 IonicContact OD2-CZ 3.18Å; D264-R275 IonicContact OD2-NE 3.59Å; D264-R275 IonicContact OD2-NH2 3Å; D264-R275 PolarHBondContact OD2-NH2 3.02Å |
| 265 | V | 90.7 | Very high | 87.8 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 117.2 | -177.4 | -175.1 | 0 | 0 | 0 | 0 | 108.4 | V197 T263 F267 L274 F276 | V197-V265 HydrophobicContact CB-CG1 4.23Å; V197-V265 HydrophobicContact CG1-CG1 3.56Å; V197-V265 HydrophobicContact CG2-CG1 3.74Å; T263-V265 HydrophobicContact CG2-CG2 4Å; V265-F267 HydrophobicContact CB-CE2 4.28Å; V265-F267 HydrophobicContact CB-CZ 4.46Å; V265-F267 HydrophobicContact CG1-CD2 4.38Å; V265-F267 HydrophobicContact CG1-CE1 4.13Å; V265-F267 HydrophobicContact CG1-CE2 3.95Å; V265-F267 HydrophobicContact CG1-CZ 3.82Å; V265-L274 PolarHBondContact N-O 2.97Å; V265-L274 PolarHBondContact O-N 3.42Å; V265-F276 HydrophobicContact CB-CD2 4.16Å; V265-F276 HydrophobicContact CB-CE2 3.99Å; V265-F276 HydrophobicContact CG2-CD2 3.87Å; V265-F276 HydrophobicContact CG2-CE2 4.14Å |
| 266 | L | 90.3 | Very high | 88.8 | Confident | 29 Ų | 29 | 26 Ų | 26 | 15% | 0.152 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 119.3 | 171 | -173.3 | 70.5 | 0 | 0 | 0 | 108.4 | E198 K199 F201 V270 P273 | E198-L266 PolarHBondContact N-O 3.4Å; K199-L266 HydrophobicContact CB-CB 4.15Å; K199-L266 HydrophobicContact CB-CD2 4.38Å; K199-L266 PolarHBondContact N-O 3.41Å; K199-L266 PolarHBondContact O-N 3Å; F201-L266 HydrophobicContact CE2-CB 4.18Å; L266-V270 VanDerWaalsContact CD1-O 3.28Å; L266-V270 WeakPolarHBondContact CD1-O 3.46Å; L266-P273 HydrophobicContact CB-CB 4.38Å; L266-P273 HydrophobicContact CD1-CB 4.34Å |
| 267 | F | 88.6 | Confident | 89.2 | Confident | 3 Ų | 3 | 26.5 Ų | 26.5 | 1% | 0.013 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 143.2 | 172.4 | -64.3 | -83.9 | 0 | 0 | 0 | 109.7 | F147 L195 V196 V197 V265 N269 V270 L274 F276 | F147-F267 HydrophobicContact CD1-CZ 4.38Å; F147-F267 AromaticContact CE1-CE1 3.88Å; F147-F267 HydrophobicContact CE1-CE1 3.88Å; F147-F267 AromaticContact CE1-CZ 3.65Å; F147-F267 HydrophobicContact CE1-CZ 3.65Å; F147-F267 HydrophobicContact CZ-CE1 4.09Å; F147-F267 HydrophobicContact CZ-CE2 4.37Å; F147-F267 AromaticContact CZ-CZ 3.83Å; F147-F267 HydrophobicContact CZ-CZ 3.83Å; L195-F267 HydrophobicContact CB-CB 4.31Å; L195-F267 HydrophobicContact CB-CD1 3.63Å; L195-F267 HydrophobicContact CB-CE1 4.21Å; L195-F267 HydrophobicContact CB-CG 4.14Å; V196-F267 CarbonylContact O-C 3.57Å; V196-F267 WeakPolarHBondContact O-CA 3.31Å; V197-F267 HydrophobicContact CG2-CD1 3.9Å; V197-F267 HydrophobicContact CG2-CE1 3.56Å; V197-F267 HydrophobicContact CG2-CZ 4.42Å; V265-F267 HydrophobicContact CB-CE2 4.28Å; V265-F267 HydrophobicContact CB-CZ 4.46Å; V265-F267 HydrophobicContact CG1-CD2 4.38Å; V265-F267 HydrophobicContact CG1-CE1 4.13Å; V265-F267 HydrophobicContact CG1-CE2 3.95Å; V265-F267 HydrophobicContact CG1-CZ 3.82Å; F267-N269 PolarHBondContact O-N 3.16Å; F267-V270 HydrophobicContact CB-CB 4.34Å; F267-V270 HydrophobicContact CB-CG2 4.07Å; F267-V270 PolarHBondContact O-N 2.81Å; F267-L274 HydrophobicContact CD2-CD1 3.86Å; F267-L274 HydrophobicContact CD2-CG 4.44Å; F267-L274 HydrophobicContact CE2-CB 4.44Å; F267-L274 HydrophobicContact CE2-CD1 3.92Å; F267-F276 AromaticContact CE2-CE2 3.77Å; F267-F276 HydrophobicContact CE2-CE2 3.77Å; F267-F276 AromaticContact CE2-CZ 3.93Å; F267-F276 HydrophobicContact CE2-CZ 3.93Å; F267-F276 AromaticContact CZ-CE2 3.95Å; F267-F276 HydrophobicContact CZ-CE2 3.95Å; F267-F276 AromaticContact CZ-CZ 3.97Å; F267-F276 HydrophobicContact CZ-CZ 3.97Å |
| 268 | A | 84.1 | Confident | 89.4 | Confident | 29 Ų | 29 | 25.8 Ų | 25.8 | 24% | 0.24 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55 | 134.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | V196 E198 V270 | V196-A268 HydrophobicContact CB-CB 4.32Å; V196-A268 PolarHBondContact O-N 2.62Å; E198-A268 HydrophobicContact CB-CB 4.42Å; A268-V270 PolarHBondContact O-N 2.85Å |
| 269 | N | 81.5 | Confident | 89.4 | Confident | 70 Ų | 70 | 28 Ų | 28 | 37% | 0.374 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.4 | 3.7 | -176.7 | -52 | -27.9 | 0 | 0 | 0 | 116 | F267 S319 F321 | F267-N269 PolarHBondContact O-N 3.16Å; N269-S319 VanDerWaalsContact CB-O 3.31Å; N269-S319 WeakPolarHBondContact CB-O 3.49Å; N269-F321 HydrophobicContact CB-CD2 3.59Å; N269-F321 HydrophobicContact CB-CE2 3.75Å; N269-F321 WeakPolarHBondContact O-CD2 3.44Å; N269-F321 PolarHBondContact O-N 3.04Å |
| 270 | V | 83.3 | Confident | 89.3 | Confident | 4 Ų | 4 | 28 Ų | 28 | 2% | 0.024 | 16% | 0.161 | C | C | . | . | trans | -100.3 | 117.1 | 168.5 | -176.1 | 0 | 0 | 0 | 0 | 107.4 | L266 F267 A268 E272 I307 V323 | L266-V270 VanDerWaalsContact CD1-O 3.28Å; L266-V270 WeakPolarHBondContact CD1-O 3.46Å; F267-V270 HydrophobicContact CB-CB 4.34Å; F267-V270 HydrophobicContact CB-CG2 4.07Å; F267-V270 PolarHBondContact O-N 2.81Å; A268-V270 PolarHBondContact O-N 2.85Å; V270-E272 VanDerWaalsContact C-N 3.27Å; V270-E272 PolarHBondContact O-N 3.26Å; V270-I307 HydrophobicContact CG2-CG2 4.49Å; V270-V323 HydrophobicContact CG1-CG2 3.47Å; V270-V323 VanDerWaalsContact CG1-CG2 3.47Å | ||
| 271 | P | 78.7 | Confident | 89.2 | Confident | 90 Ų | 90 | 30.5 Ų | 30.5 | 58% | 0.584 | 17% | 0.169 | S | C | * | . | S | Bend | trans | -71.3 | -22 | -165.4 | 26.3 | -35.3 | 0 | 0 | 0 | 113.3 | F321 | P271-F321 WeakPolarHBondContact CD-O 3.43Å; P271-F321 WeakPolarHBondContact CG-O 3.46Å |
| 272 | E | 84.5 | Confident | 89 | Confident | 101 Ų | 101 | 30.5 Ų | 30.5 | 47% | 0.472 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -116.9 | 140.8 | -178.5 | 60.4 | -174.6 | 168.9 | 0 | 0 | 112.1 | V270 V323 | V270-E272 VanDerWaalsContact C-N 3.27Å; V270-E272 PolarHBondContact O-N 3.26Å; E272-V323 HydrophobicContact CG-CG2 4Å; E272-V323 WeakPolarHBondContact OE1-CB 3.47Å |
| 273 | P | 89.6 | Confident | 88.8 | Confident | 61 Ų | 61 | 32.7 Ų | 32.7 | 40% | 0.396 | 18% | 0.177 | S | C | . | . | trans | -71.2 | 134.3 | 177 | 29.5 | -33.7 | 0 | 0 | 0 | 111.2 | F201 D264 L266 | F201-P273 HydrophobicContact CD2-CB 4.35Å; F201-P273 HydrophobicContact CE2-CB 3.7Å; F201-P273 HydrophobicContact CE2-CG 4.29Å; F201-P273 HydrophobicContact CZ-CB 4.42Å; D264-P273 HydrophobicContact CB-CB 4.35Å; L266-P273 HydrophobicContact CB-CB 4.38Å; L266-P273 HydrophobicContact CD1-CB 4.34Å | ||
| 274 | L | 91.4 | Very high | 88.7 | Confident | 8 Ų | 8 | 32.7 Ų | 32.7 | 4% | 0.042 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 126.9 | 179.6 | -60.5 | -179 | 0 | 0 | 0 | 110.6 | V265 F267 F276 L305 V323 F326 | V265-L274 PolarHBondContact N-O 2.97Å; V265-L274 PolarHBondContact O-N 3.42Å; F267-L274 HydrophobicContact CD2-CD1 3.86Å; F267-L274 HydrophobicContact CD2-CG 4.44Å; F267-L274 HydrophobicContact CE2-CB 4.44Å; F267-L274 HydrophobicContact CE2-CD1 3.92Å; L274-F276 HydrophobicContact CB-CE2 4.25Å; L274-L305 HydrophobicContact CD1-CD1 3.58Å; L274-L305 HydrophobicContact CD1-CD2 3.54Å; L274-L305 HydrophobicContact CD1-CG 4.13Å; L274-L305 HydrophobicContact CD2-CD1 4.37Å; L274-V323 HydrophobicContact CD2-CG1 4.33Å; L274-V323 HydrophobicContact CD2-CG2 4Å; L274-F326 HydrophobicContact CB-CD1 4.15Å; L274-F326 HydrophobicContact CB-CE1 3.84Å; L274-F326 HydrophobicContact CB-CE2 4.49Å; L274-F326 HydrophobicContact CB-CZ 4.01Å; L274-F326 HydrophobicContact CD1-CD2 4.17Å; L274-F326 HydrophobicContact CD1-CE2 4.26Å; L274-F326 HydrophobicContact CD1-CG 4.4Å; L274-F326 HydrophobicContact CD2-CB 4.18Å; L274-F326 HydrophobicContact CD2-CD1 3.98Å; L274-F326 HydrophobicContact CD2-CG 3.99Å |
| 275 | R | 91.7 | Very high | 88.7 | Confident | 65 Ų | 65 | 32.4 Ų | 32.4 | 25% | 0.245 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 107 | -179.6 | -178.2 | 164.3 | -71.4 | -154.8 | -3.2 | 111.9 | L204 S213 A262 T263 D264 F326 | L204-R275 VanDerWaalsContact CD1-CZ 3.47Å; S213-R275 VanDerWaalsContact CA-NH1 3.34Å; S213-R275 PolarHBondContact OG-NH1 3.47Å; S213-R275 VanDerWaalsContact OG-NH1 3.14Å; A262-R275 HydrophobicContact CB-CG 4.11Å; T263-R275 WeakPolarHBondContact O-CA 3.42Å; D264-R275 WeakPolarHBondContact OD1-CA 3.38Å; D264-R275 WeakPolarHBondContact OD1-CB 3.43Å; D264-R275 VanDerWaalsContact OD1-CG 3.27Å; D264-R275 WeakPolarHBondContact OD1-CG 3.39Å; D264-R275 IonicContact OD1-CZ 2.76Å; D264-R275 IonicContact OD1-NE 3.63Å; D264-R275 PolarHBondContact OD1-NE 2.97Å; D264-R275 IonicContact OD1-NH2 3.08Å; D264-R275 PolarHBondContact OD1-NH2 3.4Å; D264-R275 IonicContact OD2-CZ 3.18Å; D264-R275 IonicContact OD2-NE 3.59Å; D264-R275 IonicContact OD2-NH2 3Å; D264-R275 PolarHBondContact OD2-NH2 3.02Å; R275-F326 WeakPolarHBondContact O-CE1 3.14Å |
| 276 | F | 92.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 129.6 | 167.2 | -62.6 | -91.5 | 0 | 0 | 0 | 109 | F147 A149 F184 V186 A262 T263 V265 F267 L274 Y303 F326 | F147-F276 HydrophobicContact CB-CE1 3.62Å; F147-F276 HydrophobicContact CB-CZ 4.25Å; F147-F276 HydrophobicContact CD1-CE1 4.4Å; F147-F276 HydrophobicContact CD1-CZ 4.22Å; F147-F276 HydrophobicContact CD2-CE1 4.43Å; F147-F276 HydrophobicContact CD2-CZ 4.38Å; F147-F276 AromaticContact CG-CE1 3.93Å; F147-F276 HydrophobicContact CG-CE1 3.93Å; F147-F276 HydrophobicContact CG-CZ 4.04Å; A149-F276 HydrophobicContact CB-CB 4.32Å; A149-F276 HydrophobicContact CB-CD1 4.44Å; F184-F276 HydrophobicContact CE1-CB 3.82Å; F184-F276 HydrophobicContact CZ-CB 4.14Å; V186-F276 HydrophobicContact CG1-CD1 4.06Å; V186-F276 HydrophobicContact CG1-CD2 4.24Å; V186-F276 HydrophobicContact CG1-CE1 3.84Å; V186-F276 HydrophobicContact CG1-CE2 4.03Å; V186-F276 HydrophobicContact CG1-CG 4.26Å; V186-F276 HydrophobicContact CG1-CZ 3.82Å; V186-F276 HydrophobicContact CG2-CB 4.19Å; V186-F276 HydrophobicContact CG2-CD1 4.39Å; V186-F276 HydrophobicContact CG2-CD2 4.12Å; V186-F276 HydrophobicContact CG2-CG 3.97Å; A262-F276 CarbonylContact C-O 3.52Å; A262-F276 WeakPolarHBondContact CA-O 3.43Å; A262-F276 WeakPolarHBondContact CB-O 3.45Å; T263-F276 HydrophobicContact CG2-CB 4.07Å; T263-F276 PolarHBondContact N-O 2.9Å; T263-F276 PolarHBondContact O-N 3.45Å; V265-F276 HydrophobicContact CB-CD2 4.16Å; V265-F276 HydrophobicContact CB-CE2 3.99Å; V265-F276 HydrophobicContact CG2-CD2 3.87Å; V265-F276 HydrophobicContact CG2-CE2 4.14Å; F267-F276 AromaticContact CE2-CE2 3.77Å; F267-F276 HydrophobicContact CE2-CE2 3.77Å; F267-F276 AromaticContact CE2-CZ 3.93Å; F267-F276 HydrophobicContact CE2-CZ 3.93Å; F267-F276 AromaticContact CZ-CE2 3.95Å; F267-F276 HydrophobicContact CZ-CE2 3.95Å; F267-F276 AromaticContact CZ-CZ 3.97Å; F267-F276 HydrophobicContact CZ-CZ 3.97Å; L274-F276 HydrophobicContact CB-CE2 4.25Å; F276-Y303 HydrophobicContact CB-CE2 4.48Å; F276-Y303 HydrophobicContact CD1-CD1 4.32Å; F276-Y303 AromaticContact CD1-CD2 3.68Å; F276-Y303 HydrophobicContact CD1-CD2 3.68Å; F276-Y303 HydrophobicContact CD1-CE2 4.11Å; F276-Y303 AromaticContact CD1-CG 3.81Å; F276-Y303 HydrophobicContact CD1-CG 3.81Å; F276-Y303 HydrophobicContact CE1-CD2 4.28Å; F276-Y303 HydrophobicContact CE1-CG 4.04Å; F276-F326 AromaticContact CD1-CZ 3.88Å; F276-F326 HydrophobicContact CD1-CZ 3.88Å; F276-F326 HydrophobicContact CD2-CZ 4.37Å; F276-F326 AromaticContact CE1-CE2 3.84Å; F276-F326 HydrophobicContact CE1-CE2 3.84Å; F276-F326 AromaticContact CE1-CZ 3.55Å; F276-F326 HydrophobicContact CE1-CZ 3.55Å; F276-F326 HydrophobicContact CE2-CZ 4.08Å; F276-F326 HydrophobicContact CG-CZ 4.27Å; F276-F326 AromaticContact CZ-CE2 3.92Å; F276-F326 HydrophobicContact CZ-CE2 3.92Å; F276-F326 AromaticContact CZ-CZ 3.67Å; F276-F326 HydrophobicContact CZ-CZ 3.67Å |
| 277 | S | 91.7 | Very high | 88.4 | Confident | 39 Ų | 39 | 37.1 Ų | 37.1 | 27% | 0.273 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 147.1 | 179 | 67.5 | 0 | 0 | 0 | 0 | 111.6 | V261 Y303 | V261-S277 CarbonylContact O-C 3.57Å; V261-S277 VanDerWaalsContact O-CA 3.31Å; V261-S277 WeakPolarHBondContact O-CA 3.36Å; S277-Y303 WeakPolarHBondContact CA-OH 3.2Å; S277-Y303 PolarHBondContact N-OH 3.16Å; S277-Y303 PolarHBondContact O-OH 2.78Å; S277-Y303 PolarHBondContact OG-OH 3.48Å; S277-Y303 VanDerWaalsContact OG-OH 3.08Å |
| 278 | V | 91.2 | Very high | 88.1 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 113.4 | 174.8 | 175.9 | 0 | 0 | 0 | 0 | 106.5 | A149 L151 F184 V261 V299 E301 | A149-V278 HydrophobicContact CB-CG2 3.97Å; L151-V278 HydrophobicContact CB-CB 4.17Å; L151-V278 HydrophobicContact CB-CG1 3.89Å; L151-V278 HydrophobicContact CB-CG2 4.37Å; L151-V278 HydrophobicContact CD2-CB 4.34Å; L151-V278 HydrophobicContact CD2-CG1 4.01Å; F184-V278 HydrophobicContact CE2-CB 3.89Å; F184-V278 HydrophobicContact CE2-CG2 3.55Å; F184-V278 HydrophobicContact CZ-CB 4.37Å; F184-V278 HydrophobicContact CZ-CG2 3.63Å; V261-V278 PolarHBondContact N-O 2.9Å; V261-V278 PolarHBondContact O-N 3.3Å; V278-V299 HydrophobicContact CG1-CB 4.04Å; V278-V299 HydrophobicContact CG1-CG1 3.34Å; V278-E301 HydrophobicContact CG2-CB 3.94Å |
| 279 | C | 90.2 | Very high | 88.1 | Confident | 51 Ų | 51 | 44.5 Ų | 44.5 | 35% | 0.345 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 120.8 | 172.7 | -179.2 | 0 | 0 | 0 | 0 | 109 | M259 | M259-C279 WeakPolarHBondContact O-CA 3.44Å |
| 280 | C | 89.9 | Confident | 87.9 | Confident | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.014 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 166 | -179.7 | 63.1 | 0 | 0 | 0 | 0 | 111 | C170 F172 F258 M259 V299 | C170-C280 WeakPolarHBondContact O-CB 3.39Å; F172-C280 HydrophobicContact CD2-CB 4.41Å; F258-C280 WeakPolarHBondContact CA-O 3.27Å; M259-C280 VanDerWaalsContact CE-SG 3.57Å; M259-C280 PolarHBondContact N-O 2.79Å; M259-C280 PolarHBondContact O-N 2.98Å; C280-V299 HydrophobicContact CB-CG1 4.22Å; C280-V299 HydrophobicContact CB-CG2 4.07Å |
| 281 | R | 90 | Very high | 87.5 | Confident | 61 Ų | 61 | 51.7 Ų | 51.7 | 23% | 0.23 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 152.3 | 171.8 | -63.4 | 175.3 | -168.8 | 155.6 | -4.7 | 108.9 | C170 C171 F172 R256 V257 F258 A349 D352 | C170-R281 PolarHBondContact O-N 3.36Å; C171-R281 CarbonylContact C-O 3.57Å; C171-R281 WeakPolarHBondContact CA-O 3.38Å; C171-R281 HydrophobicContact CB-CB 3.95Å; F172-R281 PolarHBondContact N-O 2.91Å; R256-R281 HydrophobicContact CB-CB 4.44Å; V257-R281 CarbonylContact O-C 3.52Å; F258-R281 HydrophobicContact CD1-CG 3.97Å; F258-R281 HydrophobicContact CE1-CG 3.72Å; R281-A349 HydrophobicContact CG-CB 4.22Å; R281-D352 IonicContact CZ-OD1 3.85Å; R281-D352 IonicContact NH1-OD1 3.65Å; R281-D352 PolarHBondContact NH1-OD1 2.79Å; R281-D352 IonicContact NH1-OD2 3.54Å; R281-D352 IonicContact NH2-OD1 3.76Å |
| 282 | V | 90.5 | Very high | 86.6 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 136.3 | 177.6 | -171.8 | 0 | 0 | 0 | 0 | 109.2 | F172 L174 R256 V257 M259 I284 | F172-V282 HydrophobicContact CB-CG2 4.5Å; F172-V282 CarbonylContact O-C 3.56Å; F172-V282 WeakPolarHBondContact O-CA 3.45Å; L174-V282 HydrophobicContact CB-CG1 4.25Å; L174-V282 HydrophobicContact CD1-CG1 3.52Å; L174-V282 HydrophobicContact CG-CG1 3.79Å; R256-V282 WeakPolarHBondContact CA-O 3.46Å; V257-V282 HydrophobicContact CG2-CB 4.22Å; V257-V282 PolarHBondContact N-O 2.99Å; V257-V282 PolarHBondContact O-N 3.4Å; M259-V282 HydrophobicContact CB-CG2 3.48Å; M259-V282 VanDerWaalsContact CB-CG2 3.48Å; M259-V282 HydrophobicContact CE-CG2 3.52Å; M259-V282 HydrophobicContact CG-CG2 4.31Å; M259-V282 HydrophobicContact SD-CG2 3.92Å; V282-I284 HydrophobicContact CG1-CD1 3.47Å; V282-I284 VanDerWaalsContact CG1-CD1 3.47Å; V282-I284 HydrophobicContact CG1-CG1 4.39Å |
| 283 | R | 89.9 | Confident | 85 | Confident | 45 Ų | 45 | 60.3 Ų | 60.3 | 17% | 0.17 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 122.1 | 165.9 | -164.5 | 179.2 | 175.4 | 168.5 | -12.9 | 108.3 | F172 L174 T251 R253 R256 F285 | F172-R283 PolarHBondContact O-N 3.46Å; L174-R283 PolarHBondContact N-O 2.93Å; T251-R283 WeakPolarHBondContact OG1-CG 3.18Å; R253-R283 PolarHBondContact O-NH1 2.93Å; R253-R283 PolarHBondContact O-NH2 3.21Å; R256-R283 VanDerWaalsContact CZ-CD 3.41Å; R256-R283 VanDerWaalsContact NH1-CD 3.29Å; R283-F285 HydrophobicContact CB-CD2 4.39Å; R283-F285 HydrophobicContact CB-CE2 3.82Å; R283-F285 HydrophobicContact CG-CD2 4.21Å; R283-F285 HydrophobicContact CG-CE2 3.69Å; R283-F285 HydrophobicContact CG-CZ 4.06Å |
| 284 | I | 91.2 | Very high | 83.3 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 120.6 | 176.3 | -51 | -57.9 | 0 | 0 | 0 | 108.1 | L174 R176 L247 T249 E250 T251 V282 | L174-I284 HydrophobicContact CB-CD1 3.94Å; L174-I284 HydrophobicContact CD1-CD1 4.4Å; L174-I284 CarbonylContact O-C 3.52Å; L174-I284 WeakPolarHBondContact O-CA 3.42Å; R176-I284 HydrophobicContact CB-CG2 3.89Å; L247-I284 WeakPolarHBondContact O-CD1 3.42Å; T249-I284 VanDerWaalsContact O-CB 3.25Å; T249-I284 WeakPolarHBondContact O-CB 3.21Å; T249-I284 WeakPolarHBondContact O-CG2 3.21Å; E250-I284 WeakPolarHBondContact CA-O 3.44Å; T251-I284 HydrophobicContact CG2-CB 4.18Å; T251-I284 HydrophobicContact CG2-CG1 4.19Å; T251-I284 PolarHBondContact N-O 3.25Å; T251-I284 PolarHBondContact OG1-N 3.47Å; T251-I284 PolarHBondContact OG1-O 2.86Å; V282-I284 HydrophobicContact CG1-CD1 3.47Å; V282-I284 VanDerWaalsContact CG1-CD1 3.47Å; V282-I284 HydrophobicContact CG1-CG1 4.39Å |
| 285 | F | 90.5 | Very high | 81.6 | Confident | 22 Ų | 22 | 72 Ų | 72 | 10% | 0.096 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 167.6 | 176.2 | -69 | -99.2 | 0 | 0 | 0 | 110.7 | K173 L174 R176 R283 E289 F291 | K173-F285 HydrophobicContact CB-CD2 4.21Å; K173-F285 HydrophobicContact CB-CE2 3.64Å; K173-F285 HydrophobicContact CD-CE2 4.01Å; K173-F285 HydrophobicContact CD-CZ 4.09Å; K173-F285 HydrophobicContact CG-CE2 3.76Å; K173-F285 HydrophobicContact CG-CZ 4.32Å; L174-F285 PolarHBondContact O-N 3.38Å; R176-F285 WeakPolarHBondContact CG-O 3.49Å; R176-F285 PolarHBondContact N-O 3.39Å; R283-F285 HydrophobicContact CB-CD2 4.39Å; R283-F285 HydrophobicContact CB-CE2 3.82Å; R283-F285 HydrophobicContact CG-CD2 4.21Å; R283-F285 HydrophobicContact CG-CE2 3.69Å; R283-F285 HydrophobicContact CG-CZ 4.06Å; F285-E289 HydrophobicContact CB-CB 3.7Å; F285-E289 HydrophobicContact CB-CG 3.89Å; F285-E289 HydrophobicContact CD1-CB 4.32Å; F285-E289 HydrophobicContact CD1-CG 3.58Å; F285-E289 HydrophobicContact CE1-CG 4.27Å; F285-E289 HydrophobicContact CG-CB 4.3Å; F285-E289 HydrophobicContact CG-CG 3.9Å; F285-F291 HydrophobicContact CB-CZ 4.36Å; F285-F291 HydrophobicContact CD1-CE1 4.42Å; F285-F291 AromaticContact CD2-CE1 3.77Å; F285-F291 HydrophobicContact CD2-CE1 3.77Å; F285-F291 AromaticContact CD2-CZ 3.73Å; F285-F291 HydrophobicContact CD2-CZ 3.73Å; F285-F291 AromaticContact CE2-CE1 3.92Å; F285-F291 HydrophobicContact CE2-CE1 3.92Å; F285-F291 HydrophobicContact CE2-CZ 4.2Å; F285-F291 HydrophobicContact CG-CE1 4.02Å; F285-F291 HydrophobicContact CG-CZ 4.13Å; F285-F291 HydrophobicContact CZ-CE1 4.27Å |
| 286 | D | 88 | Confident | 80.1 | Confident | 52 Ų | 52 | 70.6 Ų | 70.6 | 28% | 0.278 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -52.3 | 151.6 | 166.7 | -176.2 | -104.9 | 0 | 0 | 0 | 112.1 | N288 E289 | D286-N288 PolarHBondContact O-N 3.28Å; D286-N288 VanDerWaalsContact O-N 3.09Å; D286-N288 WeakPolarHBondContact OD1-CB 3.28Å; D286-N288 PolarHBondContact OD1-N 2.75Å; D286-N288 PolarHBondContact OD1-ND2 3.37Å; D286-E289 PolarHBondContact O-N 3.11Å |
| 287 | E | 87 | Confident | 78.9 | Confident | 77 Ų | 77 | 79.3 Ų | 79.3 | 36% | 0.36 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -22.1 | -177.5 | 67 | -173.2 | -170.4 | 0 | 0 | 113.6 | R176 S177 R178 | R176-E287 HydrophobicContact CG-CB 4.13Å; S177-E287 PolarHBondContact OG-OE2 2.92Å; R178-E287 PolarHBondContact NE-O 2.83Å; R178-E287 PolarHBondContact NH2-O 2.98Å |
| 288 | N | 83.4 | Confident | 77.9 | Confident | 104 Ų | 104 | 79.8 Ų | 79.8 | 56% | 0.556 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.9 | 2.6 | -176.9 | -58.2 | -61.1 | 0 | 0 | 0 | 114.5 | D286 R290 | D286-N288 PolarHBondContact O-N 3.28Å; D286-N288 VanDerWaalsContact O-N 3.09Å; D286-N288 WeakPolarHBondContact OD1-CB 3.28Å; D286-N288 PolarHBondContact OD1-N 2.75Å; D286-N288 PolarHBondContact OD1-ND2 3.37Å; N288-R290 PolarHBondContact O-N 2.91Å |
| 289 | E | 84.2 | Confident | 77.6 | Confident | 82 Ų | 82 | 80 Ų | 80 | 38% | 0.383 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -59.2 | 134.4 | -176.7 | -177.9 | 68 | -173.3 | 0 | 0 | 111.7 | R175 F285 D286 F291 | R175-E289 PolarHBondContact NE-O 3.18Å; R175-E289 PolarHBondContact NH2-O 2.87Å; F285-E289 HydrophobicContact CB-CB 3.7Å; F285-E289 HydrophobicContact CB-CG 3.89Å; F285-E289 HydrophobicContact CD1-CB 4.32Å; F285-E289 HydrophobicContact CD1-CG 3.58Å; F285-E289 HydrophobicContact CE1-CG 4.27Å; F285-E289 HydrophobicContact CG-CB 4.3Å; F285-E289 HydrophobicContact CG-CG 3.9Å; D286-E289 PolarHBondContact O-N 3.11Å; E289-F291 HydrophobicContact CB-CE1 4.46Å; E289-F291 HydrophobicContact CG-CD1 4.15Å; E289-F291 HydrophobicContact CG-CE1 3.72Å; E289-F291 HydrophobicContact CG-CZ 4.41Å |
| 290 | R | 76.1 | Confident | 77.5 | Confident | 185 Ų | 185 | 80 Ų | 80 | 70% | 0.698 | 38% | 0.377 | S | S | * | . | P | Polyproline II helix | trans | -95.5 | 117 | 178.7 | -69.7 | -174.2 | 177.8 | -172.5 | 0.3 | 111.1 | N288 W292 | N288-R290 PolarHBondContact O-N 2.91Å; R290-W292 HydrophobicContact CB-CZ2 4.44Å |
| 291 | F | 75.1 | Confident | 77.5 | Confident | 41 Ų | 41 | 81.6 Ų | 81.6 | 18% | 0.18 | 38% | 0.384 | C | S | . | . | P | Polyproline II helix | trans | -92.1 | 129.7 | 171.2 | -57.7 | -42.2 | 0 | 0 | 0 | 110.5 | P166 K173 R175 F285 E289 | P166-F291 HydrophobicContact CG-CB 3.41Å; P166-F291 VanDerWaalsContact CG-CB 3.41Å; P166-F291 HydrophobicContact CG-CD1 4.05Å; P166-F291 HydrophobicContact CG-CD2 3.49Å; P166-F291 VanDerWaalsContact CG-CD2 3.49Å; P166-F291 HydrophobicContact CG-CE2 4.22Å; P166-F291 HydrophobicContact CG-CG 3.39Å; K173-F291 HydrophobicContact CB-CE1 3.88Å; K173-F291 HydrophobicContact CB-CE2 4.33Å; K173-F291 HydrophobicContact CB-CZ 3.76Å; K173-F291 WeakPolarHBondContact O-CE2 3.35Å; R175-F291 HydrophobicContact CG-CE2 3.83Å; R175-F291 HydrophobicContact CG-CZ 4.01Å; F285-F291 HydrophobicContact CB-CZ 4.36Å; F285-F291 HydrophobicContact CD1-CE1 4.42Å; F285-F291 AromaticContact CD2-CE1 3.77Å; F285-F291 HydrophobicContact CD2-CE1 3.77Å; F285-F291 AromaticContact CD2-CZ 3.73Å; F285-F291 HydrophobicContact CD2-CZ 3.73Å; F285-F291 AromaticContact CE2-CE1 3.92Å; F285-F291 HydrophobicContact CE2-CE1 3.92Å; F285-F291 HydrophobicContact CE2-CZ 4.2Å; F285-F291 HydrophobicContact CG-CE1 4.02Å; F285-F291 HydrophobicContact CG-CZ 4.13Å; F285-F291 HydrophobicContact CZ-CE1 4.27Å; E289-F291 HydrophobicContact CB-CE1 4.46Å; E289-F291 HydrophobicContact CG-CD1 4.15Å; E289-F291 HydrophobicContact CG-CE1 3.72Å; E289-F291 HydrophobicContact CG-CZ 4.41Å |
| 292 | W | 59.9 | Low | 77.6 | Confident | 194 Ų | 194 | 84.7 Ų | 84.7 | 74% | 0.735 | 40% | 0.396 | S | S | * | . | P | Polyproline II helix | trans | -89.1 | 141.4 | 173.1 | -38.9 | 98.2 | 0 | 0 | 0 | 108.8 | R290 L294 | R290-W292 HydrophobicContact CB-CZ2 4.44Å; W292-L294 PolarHBondContact O-N 3.21Å |
| 293 | N | 51.3 | Low | 77.6 | Confident | 178 Ų | 178 | 85.1 Ų | 85.1 | 95% | 0.952 | 40% | 0.398 | S | S | * | . | trans | -43.3 | 94.3 | -175.1 | -80.1 | -28 | 0 | 0 | 0 | 113.4 | ||||
| 294 | L | 54 | Low | 77.7 | Confident | 97 Ų | 97 | 86.5 Ų | 86.5 | 51% | 0.508 | 41% | 0.406 | S | S | . | . | trans | -106.5 | 111.2 | 171 | -80.7 | 145.6 | 0 | 0 | 0 | 106.8 | P166 W292 G296 | P166-L294 HydrophobicContact CB-CB 4.25Å; P166-L294 HydrophobicContact CB-CD1 4.37Å; W292-L294 PolarHBondContact O-N 3.21Å; L294-G296 PolarHBondContact O-N 2.78Å | ||
| 295 | K | 56 | Low | 77.7 | Confident | 217 Ų | 217 | 86.5 Ų | 86.5 | 94% | 0.943 | 41% | 0.406 | S | S | * | . | trans | -73.4 | 94.9 | 169.2 | -71.8 | -174.7 | 179 | -179.3 | 0 | 107.8 | ||||
| 296 | G | 59.2 | Low | 77.6 | Confident | 35 Ų | 35 | 88.5 Ų | 88.5 | 36% | 0.361 | 42% | 0.416 | S | S | . | . | P | Polyproline II helix | trans | -74 | 143.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q167 L294 | Q167-G296 WeakPolarHBondContact O-CA 3.41Å; L294-G296 PolarHBondContact O-N 2.78Å |
| 297 | K | 67.1 | Low | 77.5 | Confident | 184 Ų | 184 | 86 Ų | 86 | 80% | 0.8 | 40% | 0.402 | S | S | * | . | P | Polyproline II helix | trans | -70.5 | 137 | 160.9 | -71.3 | -179.3 | 177.6 | 178.3 | 0 | 107.8 | Q167 | Q167-K297 PolarHBondContact NE2-O 2.91Å; Q167-K297 PolarHBondContact OE1-O 2.79Å |
| 298 | P | 72 | Confident | 77.3 | Confident | 49 Ų | 49 | 85.4 Ų | 85.4 | 32% | 0.318 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -57.7 | 150.1 | 178.1 | 24.7 | -33.4 | 0 | 0 | 0 | 111.3 | V300 | P298-V300 PolarHBondContact O-N 3.43Š|
| 299 | V | 84 | Confident | 77 | Confident | 3 Ų | 3 | 84.7 Ų | 84.7 | 2% | 0.018 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 124.1 | 168.5 | -171.8 | 0 | 0 | 0 | 0 | 107.3 | Q150 L151 Q167 C170 F172 V278 C280 | Q150-V299 CarbonylContact C-O 3.56Å; Q150-V299 WeakPolarHBondContact CA-O 3.37Å; L151-V299 HydrophobicContact CB-CB 4.35Å; L151-V299 PolarHBondContact N-O 3.43Å; Q167-V299 HydrophobicContact CG-CG2 4.43Å; Q167-V299 VanDerWaalsContact NE2-N 3.18Å; C170-V299 HydrophobicContact CB-CG1 4.46Å; C170-V299 HydrophobicContact CB-CG2 4.49Å; F172-V299 HydrophobicContact CD2-CG2 4.13Å; F172-V299 HydrophobicContact CE2-CB 4.31Å; F172-V299 HydrophobicContact CE2-CG2 3.31Å; F172-V299 HydrophobicContact CZ-CG2 3.73Å; V278-V299 HydrophobicContact CG1-CB 4.04Å; V278-V299 HydrophobicContact CG1-CG1 3.34Å; C280-V299 HydrophobicContact CB-CG1 4.22Å; C280-V299 HydrophobicContact CB-CG2 4.07Å |
| 300 | V | 88.2 | Confident | 76.2 | Confident | 52 Ų | 52 | 83.8 Ų | 83.8 | 32% | 0.315 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 134.8 | -178.5 | -101.8 | 0 | 0 | 0 | 0 | 110.5 | E148 A149 Q150 P298 | E148-V300 HydrophobicContact CG-CB 4.26Å; E148-V300 HydrophobicContact CG-CG1 3.6Å; A149-V300 CarbonylContact O-C 3.57Å; A149-V300 WeakPolarHBondContact O-CA 3.34Å; Q150-V300 HydrophobicContact CB-CG1 3.93Å; Q150-V300 HydrophobicContact CG-CG1 3.52Å; P298-V300 PolarHBondContact O-N 3.43Å |
| 301 | E | 89.2 | Confident | 75.3 | Confident | 36 Ų | 36 | 84 Ų | 84 | 17% | 0.168 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 130.3 | 171.6 | -161.1 | 77.1 | -179.9 | 0 | 0 | 108.5 | A149 V278 Y303 A328 | A149-E301 PolarHBondContact N-O 2.9Å; A149-E301 PolarHBondContact O-N 3.24Å; V278-E301 HydrophobicContact CG2-CB 3.94Å; E301-Y303 HydrophobicContact CB-CE2 3.98Å; E301-Y303 HydrophobicContact CG-CD2 4.48Å; E301-Y303 HydrophobicContact CG-CE2 3.78Å; E301-A328 HydrophobicContact CG-CB 4.07Å |
| 302 | R | 92 | Very high | 74.2 | Confident | 125 Ų | 125 | 84.7 Ų | 84.7 | 47% | 0.472 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 143.7 | 178.5 | -75.8 | -177.7 | 178 | 170.3 | -1.2 | 110.6 | F147 E148 A328 D329 | F147-R302 CarbonylContact O-C 3.48Å; F147-R302 WeakPolarHBondContact O-CA 3.34Å; E148-R302 HydrophobicContact CG-CG 4.39Å; E148-R302 IonicContact OE2-NE 2.84Å; E148-R302 IonicContact OE2-NH2 2.71Å; R302-A328 CarbonylContact O-C 3.5Å; R302-A328 WeakPolarHBondContact O-CA 3.48Å; R302-D329 HydrophobicContact CB-CB 4.21Å; R302-D329 WeakPolarHBondContact CB-OD2 3.27Å; R302-D329 PolarHBondContact O-N 2.77Å |
| 303 | Y | 92.5 | Very high | 73.5 | Confident | 10 Ų | 10 | 80.9 Ų | 80.9 | 4% | 0.039 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 139.7 | -177.2 | -78.6 | -94.1 | 0 | 0 | 0 | 110.8 | V146 F147 A149 F276 S277 E301 F326 D327 A328 | V146-Y303 WeakPolarHBondContact CA-O 3.49Å; F147-Y303 PolarHBondContact N-O 3.28Å; F147-Y303 PolarHBondContact O-N 2.67Å; A149-Y303 HydrophobicContact CB-CD2 4.26Å; A149-Y303 HydrophobicContact CB-CE2 4.09Å; F276-Y303 HydrophobicContact CB-CE2 4.48Å; F276-Y303 HydrophobicContact CD1-CD1 4.32Å; F276-Y303 AromaticContact CD1-CD2 3.68Å; F276-Y303 HydrophobicContact CD1-CD2 3.68Å; F276-Y303 HydrophobicContact CD1-CE2 4.11Å; F276-Y303 AromaticContact CD1-CG 3.81Å; F276-Y303 HydrophobicContact CD1-CG 3.81Å; F276-Y303 HydrophobicContact CE1-CD2 4.28Å; F276-Y303 HydrophobicContact CE1-CG 4.04Å; S277-Y303 WeakPolarHBondContact CA-OH 3.2Å; S277-Y303 PolarHBondContact N-OH 3.16Å; S277-Y303 PolarHBondContact O-OH 2.78Å; S277-Y303 PolarHBondContact OG-OH 3.48Å; S277-Y303 VanDerWaalsContact OG-OH 3.08Å; E301-Y303 HydrophobicContact CB-CE2 3.98Å; E301-Y303 HydrophobicContact CG-CD2 4.48Å; E301-Y303 HydrophobicContact CG-CE2 3.78Å; Y303-F326 AromaticContact CD1-CE1 3.85Å; Y303-F326 HydrophobicContact CD1-CE1 3.85Å; Y303-F326 AromaticContact CD1-CE2 3.77Å; Y303-F326 HydrophobicContact CD1-CE2 3.77Å; Y303-F326 AromaticContact CD1-CZ 3.38Å; Y303-F326 HydrophobicContact CD1-CZ 3.38Å; Y303-F326 HydrophobicContact CE1-CE1 4.12Å; Y303-F326 HydrophobicContact CE1-CZ 4.02Å; Y303-F326 HydrophobicContact CG-CE2 4.15Å; Y303-F326 AromaticContact CG-CZ 3.97Å; Y303-F326 HydrophobicContact CG-CZ 3.97Å; Y303-D327 CarbonylContact C-O 3.48Å; Y303-D327 WeakPolarHBondContact CA-O 3.15Å; Y303-A328 HydrophobicContact CD1-CB 4.06Å; Y303-A328 HydrophobicContact CE1-CB 3.66Å; Y303-A328 HydrophobicContact CE2-CB 4.29Å |
| 304 | H | 91.3 | Very high | 73.3 | Confident | 74 Ų | 74 | 76.5 Ų | 76.5 | 34% | 0.343 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 122.9 | 176 | -68.1 | -87.4 | 0 | 0 | 0 | 109.2 | F326 D327 D329 | H304-F326 VanDerWaalsContact O-CA 3.28Å; H304-F326 WeakPolarHBondContact O-CA 3.38Å; H304-D327 PolarHBondContact N-O 3.33Å; H304-D327 PolarHBondContact O-N 3.34Å; H304-D327 VanDerWaalsContact O-N 3.1Å; H304-D329 IonicContact CD2-OD1 3.42Å; H304-D329 IonicContact NE2-OD1 3.33Å; H304-D329 PolarHBondContact NE2-OD1 2.83Å; H304-D329 IonicContact NE2-OD2 3.39Å |
| 305 | L | 89.9 | Confident | 72.8 | Confident | 0 Ų | 0 | 79 Ų | 79 | 0% | 0 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 126.3 | 177.7 | 174.2 | 64.3 | 0 | 0 | 0 | 109.6 | S144 F145 F147 L195 L274 I307 V323 R325 F326 | S144-L305 CarbonylContact C-O 3.54Å; S144-L305 WeakPolarHBondContact CA-O 3.49Å; F145-L305 HydrophobicContact CB-CB 4.25Å; F145-L305 PolarHBondContact N-O 3.46Å; F145-L305 PolarHBondContact O-N 2.98Å; F147-L305 HydrophobicContact CD2-CB 4.3Å; F147-L305 HydrophobicContact CE2-CB 4.03Å; F147-L305 HydrophobicContact CE2-CD2 3.87Å; L195-L305 HydrophobicContact CD1-CD2 3.7Å; L274-L305 HydrophobicContact CD1-CD1 3.58Å; L274-L305 HydrophobicContact CD1-CD2 3.54Å; L274-L305 HydrophobicContact CD1-CG 4.13Å; L274-L305 HydrophobicContact CD2-CD1 4.37Å; L305-I307 HydrophobicContact CD1-CG2 3.78Å; L305-I307 HydrophobicContact CD2-CG2 4.05Å; L305-I307 HydrophobicContact CG-CG2 3.85Å; L305-V323 HydrophobicContact CD1-CG1 3.73Å; L305-V323 HydrophobicContact CD1-CG2 4.41Å; L305-R325 CarbonylContact C-O 3.58Å; L305-R325 WeakPolarHBondContact CA-O 3.49Å; L305-F326 HydrophobicContact CB-CD2 3.83Å; L305-F326 HydrophobicContact CB-CE2 4.37Å; L305-F326 HydrophobicContact CD1-CB 4.02Å; L305-F326 HydrophobicContact CD1-CD2 3.91Å; L305-F326 HydrophobicContact CD1-CG 4.29Å; L305-F326 HydrophobicContact CG-CD2 4.42Å |
| 306 | E | 88.5 | Confident | 72.2 | Confident | 64 Ų | 64 | 72.9 Ų | 72.9 | 30% | 0.299 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 124.2 | 169.1 | -61.9 | -175.1 | 154.4 | 0 | 0 | 108.9 | L143 V324 R325 | L143-E306 WeakPolarHBondContact O-CA 3.29Å; E306-V324 HydrophobicContact CB-CB 4.13Å; E306-V324 PolarHBondContact O-N 2.82Å; E306-R325 HydrophobicContact CB-CB 4.06Å; E306-R325 HydrophobicContact CG-CB 4.33Å; E306-R325 PolarHBondContact N-O 3.14Å; E306-R325 PolarHBondContact O-N 2.57Å |
| 307 | I | 86.8 | Confident | 71.8 | Confident | 0 Ų | 0 | 77.3 Ų | 77.3 | 0% | 0 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 145.4 | 177.4 | 61.3 | 179.5 | 0 | 0 | 0 | 110.9 | P142 L143 F145 L195 V270 L305 F321 S322 V323 | P142-I307 CarbonylContact C-O 3.47Å; P142-I307 WeakPolarHBondContact CA-O 3.5Å; L143-I307 HydrophobicContact CB-CG1 4.03Å; L143-I307 PolarHBondContact N-O 2.93Å; L143-I307 PolarHBondContact O-N 3.04Å; F145-I307 HydrophobicContact CD2-CD1 4.28Å; F145-I307 HydrophobicContact CD2-CG1 4.23Å; F145-I307 HydrophobicContact CE2-CD1 3.48Å; F145-I307 VanDerWaalsContact CE2-CD1 3.48Å; F145-I307 HydrophobicContact CE2-CG1 3.58Å; F145-I307 HydrophobicContact CZ-CD1 3.95Å; F145-I307 HydrophobicContact CZ-CG1 4.46Å; L195-I307 HydrophobicContact CD1-CD1 4.38Å; L195-I307 HydrophobicContact CD2-CD1 4.23Å; V270-I307 HydrophobicContact CG2-CG2 4.49Å; L305-I307 HydrophobicContact CD1-CG2 3.78Å; L305-I307 HydrophobicContact CD2-CG2 4.05Å; L305-I307 HydrophobicContact CG-CG2 3.85Å; I307-F321 HydrophobicContact CB-CB 4.13Å; I307-F321 HydrophobicContact CD1-CB 4.19Å; I307-F321 HydrophobicContact CD1-CD1 4.07Å; I307-F321 HydrophobicContact CD1-CG 3.95Å; I307-F321 HydrophobicContact CG1-CB 4.49Å; I307-F321 HydrophobicContact CG1-CD1 4.3Å; I307-F321 HydrophobicContact CG1-CG 4.49Å; I307-S322 CarbonylContact C-O 3.46Å; I307-S322 WeakPolarHBondContact CA-O 3.5Å; I307-V323 HydrophobicContact CG2-CG2 4.27Å |
| 308 | Q | 83.2 | Confident | 71.1 | Confident | 63 Ų | 63 | 73 Ų | 73 | 29% | 0.294 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 139.3 | 177.3 | -170.9 | 173.1 | 30.6 | 0 | 0 | 109.8 | C140 F321 S322 V324 | C140-Q308 PolarHBondContact O-NE2 3.48Å; Q308-F321 CarbonylContact O-C 3.44Å; Q308-F321 VanDerWaalsContact O-CA 3.28Å; Q308-F321 WeakPolarHBondContact O-CA 3.32Å; Q308-S322 PolarHBondContact N-O 2.97Å; Q308-S322 PolarHBondContact O-N 3.17Å; Q308-S322 PolarHBondContact O-OG 3.17Å; Q308-V324 HydrophobicContact CB-CG2 3.67Å |
| 309 | E | 75.8 | Confident | 70.4 | Confident | 89 Ų | 89 | 73 Ų | 73 | 42% | 0.416 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 129.8 | 177.4 | -164.7 | 165.2 | -173.1 | 0 | 0 | 110 | S319 F321 | E309-S319 WeakPolarHBondContact OE1-CB 3.27Å; E309-S319 PolarHBondContact OE1-OG 3.49Å; E309-F321 HydrophobicContact CB-CD1 4.11Å; E309-F321 HydrophobicContact CB-CE1 3.79Å; E309-F321 HydrophobicContact CG-CD1 4.46Å; E309-F321 HydrophobicContact CG-CE1 3.87Å; E309-F321 HydrophobicContact CG-CZ 4.3Å |
| 310 | V | 68.5 | Low | 69.7 | Low | 64 Ų | 64 | 77.6 Ų | 77.6 | 39% | 0.388 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 122.8 | 175.9 | -176.4 | 0 | 0 | 0 | 0 | 107.8 | T312 E320 S322 | V310-T312 PolarHBondContact O-N 3.5Å; V310-E320 PolarHBondContact N-O 3.39Å; V310-S322 WeakPolarHBondContact CG2-OG 3.39Å |
| 311 | E | 57.4 | Low | 69.4 | Low | 190 Ų | 190 | 75.2 Ų | 75.2 | 89% | 0.888 | 43% | 0.432 | S | S | * | . | trans | -67.2 | 101.3 | 174.1 | -72.8 | -174.9 | 167.5 | 0 | 0 | 110 | ||||
| 312 | T | 50.8 | Low | 69 | Low | 54 Ų | 54 | 75.5 Ų | 75.5 | 33% | 0.331 | 44% | 0.438 | S | S | . | . | trans | -78.4 | 118.7 | 167.8 | 47.3 | 0 | 0 | 0 | 0 | 109.6 | V310 S314 E320 | V310-T312 PolarHBondContact O-N 3.5Å; T312-S314 PolarHBondContact O-N 2.91Å; T312-E320 HydrophobicContact CG2-CB 4.02Å; T312-E320 HydrophobicContact CG2-CG 4.03Å; T312-E320 VanDerWaalsContact CG2-OE2 3.32Å; T312-E320 WeakPolarHBondContact CG2-OE2 3.39Å | ||
| 313 | A | 46 | Very low | 68.5 | Low | 115 Ų | 115 | 71 Ų | 71 | 95% | 0.95 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -71 | 25.5 | -176 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 314 | S | 48 | Very low | 67.9 | Low | 86 Ų | 86 | 74.1 Ų | 74.1 | 60% | 0.601 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -145.7 | 123.8 | -177 | 52.3 | 0 | 0 | 0 | 0 | 112.2 | T312 | T312-S314 PolarHBondContact O-N 2.91Š|
| 315 | D | 43.5 | Very low | 67.6 | Low | 149 Ų | 149 | 77.4 Ų | 77.4 | 80% | 0.797 | 45% | 0.453 | S | S | * | . | trans | 45.5 | 65.5 | 164.4 | -66.2 | -7.9 | 0 | 0 | 0 | 117.2 | T317 | D315-T317 PolarHBondContact O-N 3.05Å; D315-T317 PolarHBondContact O-OG1 3.15Å | ||
| 316 | G | 42.7 | Very low | 67.5 | Low | 88 Ų | 88 | 79.4 Ų | 79.4 | 91% | 0.907 | 46% | 0.462 | S | S | * | . | S | Bend | 46.4 | 9 | 128.9 | 0 | 0 | 0 | 0 | 0 | 122.7 | |||
| 317 | T | 49.5 | Very low | 67.4 | Low | 129 Ų | 129 | 79.8 Ų | 79.8 | 79% | 0.791 | 47% | 0.467 | S | S | * | . | S | Bend | trans | -135.6 | -7.6 | -170.3 | 16.7 | 0 | 0 | 0 | 0 | 116.5 | D315 | D315-T317 PolarHBondContact O-N 3.05Å; D315-T317 PolarHBondContact O-OG1 3.15Å |
| 318 | T | 52.8 | Low | 67.1 | Low | 92 Ų | 92 | 81.6 Ų | 81.6 | 56% | 0.564 | 48% | 0.481 | S | S | * | . | trans | -146.4 | 108.9 | 178.7 | 33.8 | 0 | 0 | 0 | 0 | 110.6 | E320 | T318-E320 PolarHBondContact O-N 3.3Š| ||
| 319 | S | 58.5 | Low | 66.6 | Low | 50 Ų | 50 | 80.9 Ų | 80.9 | 35% | 0.35 | 48% | 0.479 | S | S | . | . | trans | -71.3 | 114.4 | 169.3 | -60.1 | 0 | 0 | 0 | 0 | 109.7 | N269 E309 F321 | N269-S319 VanDerWaalsContact CB-O 3.31Å; N269-S319 WeakPolarHBondContact CB-O 3.49Å; E309-S319 WeakPolarHBondContact OE1-CB 3.27Å; E309-S319 PolarHBondContact OE1-OG 3.49Å; S319-F321 VanDerWaalsContact O-CE2 3.24Å; S319-F321 WeakPolarHBondContact O-CE2 3.38Å | ||
| 320 | E | 69.5 | Low | 65.5 | Low | 99 Ų | 99 | 82.5 Ų | 82.5 | 46% | 0.463 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 144.2 | 168.9 | -72.7 | -172.5 | 164.2 | 0 | 0 | 110.7 | V310 T312 T318 | V310-E320 PolarHBondContact N-O 3.39Å; T312-E320 HydrophobicContact CG2-CB 4.02Å; T312-E320 HydrophobicContact CG2-CG 4.03Å; T312-E320 VanDerWaalsContact CG2-OE2 3.32Å; T312-E320 WeakPolarHBondContact CG2-OE2 3.39Å; T318-E320 PolarHBondContact O-N 3.3Å |
| 321 | F | 81.1 | Confident | 64.3 | Low | 3 Ų | 3 | 86.9 Ų | 86.9 | 1% | 0.013 | 51% | 0.507 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 147.1 | 176.4 | -62.1 | -79.6 | 0 | 0 | 0 | 110.6 | L143 R193 N269 P271 I307 Q308 E309 S319 | L143-F321 HydrophobicContact CD1-CE1 4.23Å; R193-F321 VanDerWaalsContact NH2-CE1 3.35Å; N269-F321 HydrophobicContact CB-CD2 3.59Å; N269-F321 HydrophobicContact CB-CE2 3.75Å; N269-F321 WeakPolarHBondContact O-CD2 3.44Å; N269-F321 PolarHBondContact O-N 3.04Å; P271-F321 WeakPolarHBondContact CD-O 3.43Å; P271-F321 WeakPolarHBondContact CG-O 3.46Å; I307-F321 HydrophobicContact CB-CB 4.13Å; I307-F321 HydrophobicContact CD1-CB 4.19Å; I307-F321 HydrophobicContact CD1-CD1 4.07Å; I307-F321 HydrophobicContact CD1-CG 3.95Å; I307-F321 HydrophobicContact CG1-CB 4.49Å; I307-F321 HydrophobicContact CG1-CD1 4.3Å; I307-F321 HydrophobicContact CG1-CG 4.49Å; Q308-F321 CarbonylContact O-C 3.44Å; Q308-F321 VanDerWaalsContact O-CA 3.28Å; Q308-F321 WeakPolarHBondContact O-CA 3.32Å; E309-F321 HydrophobicContact CB-CD1 4.11Å; E309-F321 HydrophobicContact CB-CE1 3.79Å; E309-F321 HydrophobicContact CG-CD1 4.46Å; E309-F321 HydrophobicContact CG-CE1 3.87Å; E309-F321 HydrophobicContact CG-CZ 4.3Å; S319-F321 VanDerWaalsContact O-CE2 3.24Å; S319-F321 WeakPolarHBondContact O-CE2 3.38Å |
| 322 | S | 81.3 | Confident | 63.3 | Low | 41 Ų | 41 | 82.8 Ų | 82.8 | 29% | 0.287 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 142 | 164.3 | 59.9 | 0 | 0 | 0 | 0 | 109.7 | I307 Q308 V310 V324 | I307-S322 CarbonylContact C-O 3.46Å; I307-S322 WeakPolarHBondContact CA-O 3.5Å; Q308-S322 PolarHBondContact N-O 2.97Å; Q308-S322 PolarHBondContact O-N 3.17Å; Q308-S322 PolarHBondContact O-OG 3.17Å; V310-S322 WeakPolarHBondContact CG2-OG 3.39Å; S322-V324 PolarHBondContact O-N 3.48Å |
| 323 | V | 81.6 | Confident | 62.6 | Low | 30 Ų | 30 | 83.9 Ų | 83.9 | 18% | 0.182 | 50% | 0.498 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 116.5 | 173.8 | -177.6 | 0 | 0 | 0 | 0 | 108.2 | V270 E272 L274 L305 I307 F326 | V270-V323 HydrophobicContact CG1-CG2 3.47Å; V270-V323 VanDerWaalsContact CG1-CG2 3.47Å; E272-V323 HydrophobicContact CG-CG2 4Å; E272-V323 WeakPolarHBondContact OE1-CB 3.47Å; L274-V323 HydrophobicContact CD2-CG1 4.33Å; L274-V323 HydrophobicContact CD2-CG2 4Å; L305-V323 HydrophobicContact CD1-CG1 3.73Å; L305-V323 HydrophobicContact CD1-CG2 4.41Å; I307-V323 HydrophobicContact CG2-CG2 4.27Å; V323-F326 HydrophobicContact CG1-CB 4.06Å |
| 324 | V | 79.8 | Confident | 61.7 | Low | 76 Ų | 76 | 84.3 Ų | 84.3 | 46% | 0.461 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | -41.1 | 174.8 | -179.5 | 0 | 0 | 0 | 0 | 109.8 | P142 E306 Q308 S322 | P142-V324 HydrophobicContact CB-CG2 4.45Å; E306-V324 HydrophobicContact CB-CB 4.13Å; E306-V324 PolarHBondContact O-N 2.82Å; Q308-V324 HydrophobicContact CB-CG2 3.67Å; S322-V324 PolarHBondContact O-N 3.48Å |
| 325 | R | 85 | Confident | 60.8 | Low | 143 Ų | 143 | 82.8 Ų | 82.8 | 54% | 0.54 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 135.8 | -176.2 | -167.7 | 174.2 | -178.6 | 166.6 | 0.7 | 111.3 | L305 E306 D327 | L305-R325 CarbonylContact C-O 3.58Å; L305-R325 WeakPolarHBondContact CA-O 3.49Å; E306-R325 HydrophobicContact CB-CB 4.06Å; E306-R325 HydrophobicContact CG-CB 4.33Å; E306-R325 PolarHBondContact N-O 3.14Å; E306-R325 PolarHBondContact O-N 2.57Å; R325-D327 IonicContact CZ-OD2 2.62Å; R325-D327 VanDerWaalsContact CZ-OD2 3.31Å; R325-D327 IonicContact NE-OD2 2.67Å; R325-D327 PolarHBondContact NE-OD2 3Å; R325-D327 IonicContact NH2-OD2 3.95Å; R325-D327 PolarHBondContact NH2-OD2 2.65Å |
| 326 | F | 88.1 | Confident | 60.3 | Low | 43 Ų | 43 | 79.7 Ų | 79.7 | 19% | 0.189 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 101.5 | 169.8 | -177.8 | -115.2 | 0 | 0 | 0 | 110.6 | L274 R275 F276 Y303 H304 L305 V323 | L274-F326 HydrophobicContact CB-CD1 4.15Å; L274-F326 HydrophobicContact CB-CE1 3.84Å; L274-F326 HydrophobicContact CB-CE2 4.49Å; L274-F326 HydrophobicContact CB-CZ 4.01Å; L274-F326 HydrophobicContact CD1-CD2 4.17Å; L274-F326 HydrophobicContact CD1-CE2 4.26Å; L274-F326 HydrophobicContact CD1-CG 4.4Å; L274-F326 HydrophobicContact CD2-CB 4.18Å; L274-F326 HydrophobicContact CD2-CD1 3.98Å; L274-F326 HydrophobicContact CD2-CG 3.99Å; R275-F326 WeakPolarHBondContact O-CE1 3.14Å; F276-F326 AromaticContact CD1-CZ 3.88Å; F276-F326 HydrophobicContact CD1-CZ 3.88Å; F276-F326 HydrophobicContact CD2-CZ 4.37Å; F276-F326 AromaticContact CE1-CE2 3.84Å; F276-F326 HydrophobicContact CE1-CE2 3.84Å; F276-F326 AromaticContact CE1-CZ 3.55Å; F276-F326 HydrophobicContact CE1-CZ 3.55Å; F276-F326 HydrophobicContact CE2-CZ 4.08Å; F276-F326 HydrophobicContact CG-CZ 4.27Å; F276-F326 AromaticContact CZ-CE2 3.92Å; F276-F326 HydrophobicContact CZ-CE2 3.92Å; F276-F326 AromaticContact CZ-CZ 3.67Å; F276-F326 HydrophobicContact CZ-CZ 3.67Å; Y303-F326 AromaticContact CD1-CE1 3.85Å; Y303-F326 HydrophobicContact CD1-CE1 3.85Å; Y303-F326 AromaticContact CD1-CE2 3.77Å; Y303-F326 HydrophobicContact CD1-CE2 3.77Å; Y303-F326 AromaticContact CD1-CZ 3.38Å; Y303-F326 HydrophobicContact CD1-CZ 3.38Å; Y303-F326 HydrophobicContact CE1-CE1 4.12Å; Y303-F326 HydrophobicContact CE1-CZ 4.02Å; Y303-F326 HydrophobicContact CG-CE2 4.15Å; Y303-F326 AromaticContact CG-CZ 3.97Å; Y303-F326 HydrophobicContact CG-CZ 3.97Å; H304-F326 VanDerWaalsContact O-CA 3.28Å; H304-F326 WeakPolarHBondContact O-CA 3.38Å; L305-F326 HydrophobicContact CB-CD2 3.83Å; L305-F326 HydrophobicContact CB-CE2 4.37Å; L305-F326 HydrophobicContact CD1-CB 4.02Å; L305-F326 HydrophobicContact CD1-CD2 3.91Å; L305-F326 HydrophobicContact CD1-CG 4.29Å; L305-F326 HydrophobicContact CG-CD2 4.42Å; V323-F326 HydrophobicContact CG1-CB 4.06Å |
| 327 | D | 84.7 | Confident | 59.6 | Low | 72 Ų | 72 | 85.8 Ų | 85.8 | 39% | 0.385 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 152.4 | -174.8 | -66.5 | -37.3 | 0 | 0 | 0 | 111.6 | Y303 H304 R325 | Y303-D327 CarbonylContact C-O 3.48Å; Y303-D327 WeakPolarHBondContact CA-O 3.15Å; H304-D327 PolarHBondContact N-O 3.33Å; H304-D327 PolarHBondContact O-N 3.34Å; H304-D327 VanDerWaalsContact O-N 3.1Å; R325-D327 IonicContact CZ-OD2 2.62Å; R325-D327 VanDerWaalsContact CZ-OD2 3.31Å; R325-D327 IonicContact NE-OD2 2.67Å; R325-D327 PolarHBondContact NE-OD2 3Å; R325-D327 IonicContact NH2-OD2 3.95Å; R325-D327 PolarHBondContact NH2-OD2 2.65Å |
| 328 | A | 81.8 | Confident | 58.7 | Low | 38 Ų | 38 | 90.6 Ų | 90.6 | 31% | 0.314 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 152.9 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | E301 R302 Y303 D330 | E301-A328 HydrophobicContact CG-CB 4.07Å; R302-A328 CarbonylContact O-C 3.5Å; R302-A328 WeakPolarHBondContact O-CA 3.48Å; Y303-A328 HydrophobicContact CD1-CB 4.06Å; Y303-A328 HydrophobicContact CE1-CB 3.66Å; Y303-A328 HydrophobicContact CE2-CB 4.29Å; A328-D330 PolarHBondContact O-N 3.41Å |
| 329 | D | 71.6 | Confident | 57.6 | Low | 47 Ų | 47 | 91.5 Ų | 91.5 | 25% | 0.251 | 48% | 0.479 | S | S | . | . | trans | -63.8 | 114.7 | 169.6 | -94 | -17.9 | 0 | 0 | 0 | 110.2 | R302 H304 H331 | R302-D329 HydrophobicContact CB-CB 4.21Å; R302-D329 WeakPolarHBondContact CB-OD2 3.27Å; R302-D329 PolarHBondContact O-N 2.77Å; H304-D329 IonicContact CD2-OD1 3.42Å; H304-D329 IonicContact NE2-OD1 3.33Å; H304-D329 PolarHBondContact NE2-OD1 2.83Å; H304-D329 IonicContact NE2-OD2 3.39Å; D329-H331 PolarHBondContact O-N 2.83Å | ||
| 330 | D | 53.2 | Low | 56.3 | Low | 123 Ų | 123 | 95 Ų | 95 | 66% | 0.658 | 50% | 0.503 | S | S | * | . | trans | -73.4 | 36.2 | -176.7 | -139.6 | -0.7 | 0 | 0 | 0 | 112.9 | A328 R337 | A328-D330 PolarHBondContact O-N 3.41Å; D330-R337 IonicContact OD2-NH2 2.75Å; D330-R337 PolarHBondContact OD2-NH2 3.43Å | ||
| 331 | H | 43 | Very low | 54.3 | Low | 156 Ų | 156 | 99.8 Ų | 99.8 | 72% | 0.722 | 52% | 0.522 | S | S | * | . | trans | -94.2 | 1.4 | -164.6 | -87.8 | -47.9 | 0 | 0 | 0 | 116.7 | D329 | D329-H331 PolarHBondContact O-N 2.83Š| ||
| 332 | N | 37.7 | Very low | 52 | Low | 104 Ų | 104 | 102 Ų | 102 | 56% | 0.556 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -123 | -0.4 | -174.3 | -86.2 | -33.5 | 0 | 0 | 0 | 118.5 | ||
| 333 | V | 35.8 | Very low | 49.9 | Very low | 77 Ų | 77 | 107.8 Ų | 107.8 | 47% | 0.467 | 57% | 0.572 | S | S | . | * | trans | -145.5 | 60.2 | 175.2 | -160.9 | 0 | 0 | 0 | 0 | 112.1 | S335 | V333-S335 PolarHBondContact O-N 2.75Š| ||
| 334 | S | 27 | Very low | 47.8 | Very low | 124 Ų | 124 | 112.9 Ų | 112.9 | 87% | 0.867 | 60% | 0.597 | S | S | * | * | trans | -79.4 | 63.7 | 166.5 | 60.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 335 | S | 29.6 | Very low | 46.3 | Very low | 55 Ų | 55 | 112.5 Ų | 112.5 | 39% | 0.385 | 60% | 0.595 | S | S | . | * | S | Bend | trans | -156.8 | 141.2 | 152.2 | 88.5 | 0 | 0 | 0 | 0 | 108.4 | V333 | V333-S335 PolarHBondContact O-N 2.75Š|
| 336 | V | 31.7 | Very low | 45.2 | Very low | 83 Ų | 83 | 109 Ų | 109 | 50% | 0.503 | 59% | 0.587 | S | S | . | * | trans | 80.4 | 57.3 | -179.3 | -153.8 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 337 | R | 28.2 | Very low | 44.2 | Very low | 217 Ų | 217 | 110 Ų | 110 | 82% | 0.819 | 59% | 0.594 | S | S | * | * | trans | -105.3 | 67.4 | 143.5 | -77.9 | -167.9 | -171.3 | 169.1 | 12.6 | 109.6 | D330 | D330-R337 IonicContact OD2-NH2 2.75Å; D330-R337 PolarHBondContact OD2-NH2 3.43Å | ||
| 338 | R | 31.2 | Very low | 43.2 | Very low | 229 Ų | 229 | 109.2 Ų | 109.2 | 86% | 0.864 | 59% | 0.592 | S | S | * | * | trans | -148.3 | 137.8 | 159.8 | -72.3 | -169.3 | -176.7 | 163.8 | 1.9 | 108.8 | ||||
| 339 | S | 30 | Very low | 41.9 | Very low | 111 Ų | 111 | 107.4 Ų | 107.4 | 78% | 0.776 | 58% | 0.577 | S | S | * | * | trans | 81.6 | 88.3 | 173.4 | -161.5 | 0 | 0 | 0 | 0 | 117.1 | K341 | S339-K341 PolarHBondContact O-N 2.77Å; S339-K341 VanDerWaalsContact O-N 3.15Å | ||
| 340 | S | 30 | Very low | 40.7 | Very low | 123 Ų | 123 | 108.4 Ų | 108.4 | 86% | 0.86 | 59% | 0.586 | S | S | * | * | trans | -62.6 | 100.7 | 151.4 | -44.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 341 | K | 29.2 | Very low | 40.2 | Very low | 201 Ų | 201 | 104.4 Ų | 104.4 | 87% | 0.874 | 57% | 0.567 | S | S | * | * | trans | 171.9 | 101.2 | 152.5 | -96.7 | 164.7 | -172.2 | -176.7 | 0 | 108.9 | S339 | S339-K341 PolarHBondContact O-N 2.77Å; S339-K341 VanDerWaalsContact O-N 3.15Å | ||
| 342 | G | 30.8 | Very low | 40.1 | Very low | 48 Ų | 48 | 99.6 Ų | 99.6 | 50% | 0.495 | 55% | 0.546 | S | S | . | . | trans | 151.4 | 103.7 | 169.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | L344 V345 | G342-L344 PolarHBondContact O-N 3.46Å; G342-L344 VanDerWaalsContact O-N 3.08Å; G342-V345 PolarHBondContact O-N 3.44Å | ||
| 343 | I | 38.1 | Very low | 40.3 | Very low | 163 Ų | 163 | 101.1 Ų | 101.1 | 84% | 0.836 | 55% | 0.55 | S | S | * | . | G | 310 helix | trans | -57.4 | -21 | 176.2 | -72.1 | 163.3 | 0 | 0 | 0 | 112.5 | ||
| 344 | L | 38 | Very low | 40.6 | Very low | 138 Ų | 138 | 101.1 Ų | 101.1 | 72% | 0.723 | 55% | 0.547 | S | S | * | . | G | 310 helix | trans | -74.9 | -26.9 | -179 | -90.9 | 150.5 | 0 | 0 | 0 | 115 | G342 N346 L347 V348 | G342-L344 PolarHBondContact O-N 3.46Å; G342-L344 VanDerWaalsContact O-N 3.08Å; L344-N346 PolarHBondContact O-N 2.8Å; L344-L347 PolarHBondContact O-N 3.48Å; L344-V348 PolarHBondContact O-N 3.13Å |
| 345 | V | 46.9 | Very low | 41.4 | Very low | 68 Ų | 68 | 101.5 Ų | 101.5 | 41% | 0.412 | 54% | 0.535 | S | S | . | . | G | 310 helix | trans | -75.9 | -8 | -173.1 | -153.3 | 0 | 0 | 0 | 0 | 112.5 | R209 G342 | R209-V345 PolarHBondContact NE-O 2.89Å; R209-V345 VanDerWaalsContact NH2-CG1 3.35Å; R209-V345 PolarHBondContact NH2-O 3.17Å; G342-V345 PolarHBondContact O-N 3.44Å |
| 346 | N | 62.1 | Low | 41.9 | Very low | 70 Ų | 70 | 101.5 Ų | 101.5 | 37% | 0.374 | 54% | 0.535 | S | S | . | . | G | 310 helix | trans | -92.5 | -23.8 | 176.6 | -75.9 | -1 | 0 | 0 | 0 | 113.2 | G208 R209 L344 | G208-N346 CarbonylContact C-O 3.52Å; G208-N346 WeakPolarHBondContact CA-O 3.05Å; R209-N346 HydrophobicContact CG-CB 4.44Å; R209-N346 WeakPolarHBondContact CG-O 3.41Å; R209-N346 PolarHBondContact N-O 2.82Å; L344-N346 PolarHBondContact O-N 2.8Å |
| 347 | L | 68 | Low | 42.4 | Very low | 63 Ų | 63 | 100.1 Ų | 100.1 | 33% | 0.33 | 53% | 0.525 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | -51.2 | -179.5 | -104.3 | 88.6 | 0 | 0 | 0 | 112.7 | V246 V257 F258 L344 | V246-L347 HydrophobicContact CB-CD2 4.41Å; V246-L347 HydrophobicContact CG1-CD2 3.59Å; V246-L347 HydrophobicContact CG2-CD2 3.97Å; V257-L347 CarbonylContact C-O 3.52Å; V257-L347 WeakPolarHBondContact CA-O 3.48Å; F258-L347 PolarHBondContact N-O 2.78Å; L344-L347 PolarHBondContact O-N 3.48Å |
| 348 | V | 63.6 | Low | 43.6 | Very low | 56 Ų | 56 | 94.2 Ų | 94.2 | 34% | 0.339 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 123 | -173.3 | -176.9 | 0 | 0 | 0 | 0 | 107.9 | L344 | L344-V348 PolarHBondContact O-N 3.13Å |
| 349 | A | 53.9 | Low | 45.1 | Very low | 0 Ų | 0 | 87.5 Ų | 87.5 | 0% | 0 | 50% | 0.498 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 126.9 | 166.1 | 0 | 0 | 0 | 0 | 0 | 107 | R256 F258 R281 | R256-A349 HydrophobicContact CB-CB 4.08Å; R256-A349 PolarHBondContact O-N 2.84Å; F258-A349 HydrophobicContact CD1-CB 4.43Å; F258-A349 HydrophobicContact CD2-CB 4Å; F258-A349 HydrophobicContact CE1-CB 3.98Å; F258-A349 HydrophobicContact CE2-CB 3.54Å; F258-A349 HydrophobicContact CG-CB 4.43Å; F258-A349 HydrophobicContact CZ-CB 3.5Å; R281-A349 HydrophobicContact CG-CB 4.22Å |
| 350 | P | 46 | Very low | 46.8 | Very low | 68 Ų | 68 | 87.6 Ų | 87.6 | 44% | 0.442 | 49% | 0.486 | S | S | . | . | P | Polyproline II helix | trans | -51 | 136.2 | 167.5 | 23.3 | -30.4 | 0 | 0 | 0 | 106.2 | D352 | P350-D352 PolarHBondContact O-N 3.32Š|
| 351 | P | 42.7 | Very low | 49 | Very low | 39 Ų | 39 | 84.1 Ų | 84.1 | 25% | 0.253 | 46% | 0.461 | S | S | . | . | trans | -45.8 | 136.4 | 172.9 | 19.4 | -31 | 0 | 0 | 0 | 107.3 | E254 E353 S356 | E254-P351 WeakPolarHBondContact O-CB 3.5Å; P351-E353 PolarHBondContact O-N 3.44Å; P351-S356 VanDerWaalsContact CG-OG 3.28Å; P351-S356 WeakPolarHBondContact CG-OG 3.18Å | ||
| 352 | D | 41.9 | Very low | 51.4 | Low | 54 Ų | 54 | 75.1 Ų | 75.1 | 29% | 0.289 | 42% | 0.423 | S | S | . | . | trans | -44.3 | 129.1 | 175 | -81.3 | -51.3 | 0 | 0 | 0 | 106.6 | R281 P350 N354 E355 S356 | R281-D352 IonicContact CZ-OD1 3.85Å; R281-D352 IonicContact NH1-OD1 3.65Å; R281-D352 PolarHBondContact NH1-OD1 2.79Å; R281-D352 IonicContact NH1-OD2 3.54Å; R281-D352 IonicContact NH2-OD1 3.76Å; P350-D352 PolarHBondContact O-N 3.32Å; D352-N354 HydrophobicContact CB-CB 4.28Å; D352-N354 CarbonylContact O-C 3.6Å; D352-N354 PolarHBondContact O-N 2.9Å; D352-E355 PolarHBondContact O-N 3.14Å; D352-S356 PolarHBondContact O-N 2.87Å | ||
| 353 | E | 40.9 | Very low | 53.7 | Low | 137 Ų | 137 | 77.8 Ų | 77.8 | 64% | 0.64 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | -10.5 | 176.4 | -67.8 | 175.7 | 174.7 | 0 | 0 | 111.1 | P351 | P351-E353 PolarHBondContact O-N 3.44Š|
| 354 | N | 43 | Very low | 55.7 | Low | 77 Ų | 77 | 70.5 Ų | 70.5 | 41% | 0.412 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -18.4 | 172.8 | -68.4 | -63.9 | 0 | 0 | 0 | 116.7 | D352 R651 | D352-N354 HydrophobicContact CB-CB 4.28Å; D352-N354 CarbonylContact O-C 3.6Å; D352-N354 PolarHBondContact O-N 2.9Å; N354-R651 PolarHBondContact O-NH1 3.39Å; N354-R651 VanDerWaalsContact O-NH1 3.12Å |
| 355 | E | 43.5 | Very low | 57.6 | Low | 131 Ų | 131 | 64 Ų | 64 | 61% | 0.612 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124 | -18 | -176.4 | -67.7 | -160.8 | 159.7 | 0 | 0 | 115.9 | R256 D352 | R256-E355 IonicContact NH2-OE2 3.31Å; D352-E355 PolarHBondContact O-N 3.14Å |
| 356 | S | 41 | Very low | 59.2 | Low | 56 Ų | 56 | 61.4 Ų | 61.4 | 39% | 0.392 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -110.9 | 1.7 | -180 | 179.1 | 0 | 0 | 0 | 0 | 115.9 | P351 D352 S358 | P351-S356 VanDerWaalsContact CG-OG 3.28Å; P351-S356 WeakPolarHBondContact CG-OG 3.18Å; D352-S356 PolarHBondContact O-N 2.87Å; S356-S358 PolarHBondContact O-N 2.87Å |
| 357 | D | 42 | Very low | 59.5 | Low | 54 Ų | 54 | 59.1 Ų | 59.1 | 29% | 0.289 | 33% | 0.332 | S | S | . | . | trans | -95.9 | 77.9 | 161.1 | -76.5 | -38.5 | 0 | 0 | 0 | 109 | D359 E360 R651 | D357-D359 PolarHBondContact O-N 2.81Å; D357-D359 VanDerWaalsContact O-N 3.09Å; D357-E360 HydrophobicContact CB-CB 3.65Å; D357-E360 HydrophobicContact CB-CG 3.7Å; D357-E360 PolarHBondContact O-N 3.42Å; D357-R651 PolarHBondContact O-NH2 3.07Å; D357-R651 VanDerWaalsContact O-NH2 3.08Å | ||
| 358 | S | 53.5 | Low | 59.2 | Low | 93 Ų | 93 | 63.2 Ų | 63.2 | 65% | 0.65 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -60.5 | -18.5 | 173.1 | 76.7 | 0 | 0 | 0 | 0 | 112 | S356 V647 | S356-S358 PolarHBondContact O-N 2.87Å; S358-V647 WeakPolarHBondContact O-CG1 3.42Å |
| 359 | D | 62.2 | Low | 59.2 | Low | 88 Ų | 88 | 63.3 Ų | 63.3 | 47% | 0.471 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -107.8 | -13.8 | -172 | -75.3 | 6.7 | 0 | 0 | 0 | 113.7 | D357 K643 V647 | D357-D359 PolarHBondContact O-N 2.81Å; D357-D359 VanDerWaalsContact O-N 3.09Å; D359-K643 VanDerWaalsContact OD1-CE 3.24Å; D359-K643 WeakPolarHBondContact OD1-CE 3.23Å; D359-K643 IonicContact OD1-NZ 2.79Å; D359-K643 PolarHBondContact OD1-NZ 3.45Å; D359-K643 IonicContact OD2-NZ 3.86Å; D359-K643 PolarHBondContact OD2-NZ 2.91Å; D359-V647 WeakPolarHBondContact O-CG2 3.44Å |
| 360 | E | 66.5 | Low | 59.5 | Low | 112 Ų | 112 | 65.5 Ų | 65.5 | 52% | 0.523 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -83.9 | 133.9 | 177 | -64.8 | -158.1 | 162.9 | 0 | 0 | 112.3 | D357 R651 | D357-E360 HydrophobicContact CB-CB 3.65Å; D357-E360 HydrophobicContact CB-CG 3.7Å; D357-E360 PolarHBondContact O-N 3.42Å; E360-R651 PolarHBondContact O-NE 3.01Å; E360-R651 PolarHBondContact O-NH2 2.8Å |
| 361 | P | 74.8 | Confident | 60.2 | Low | 50 Ų | 50 | 66.6 Ų | 66.6 | 33% | 0.325 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 143.4 | 176.2 | 28 | -33.6 | 0 | 0 | 0 | 110.3 | L363 R646 | P361-L363 PolarHBondContact O-N 3.15Å; P361-R646 HydrophobicContact CB-CG 4.25Å |
| 362 | L | 80.1 | Confident | 61.2 | Low | 13 Ų | 13 | 73.1 Ų | 73.1 | 7% | 0.068 | 40% | 0.402 | C | S | . | . | P | Polyproline II helix | trans | -55.9 | 128.3 | 174.8 | -171.8 | 71.6 | 0 | 0 | 0 | 110.1 | S364 S366 P599 P650 R651 | L362-S364 PolarHBondContact O-N 2.76Å; L362-S366 WeakPolarHBondContact CD2-OG 3.46Å; L362-S366 WeakPolarHBondContact CG-OG 3.45Å; L362-P599 HydrophobicContact CD2-CG 3.7Å; L362-P650 HydrophobicContact CD2-CB 4.47Å; L362-R651 HydrophobicContact CB-CG 4.26Å; L362-R651 HydrophobicContact CD1-CG 4.47Å |
| 363 | L | 78.4 | Confident | 62.7 | Low | 103 Ų | 103 | 72.5 Ų | 72.5 | 54% | 0.539 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 136.5 | 173 | -67.5 | 175.2 | 0 | 0 | 0 | 109.5 | P361 S366 P455 A456 | P361-L363 PolarHBondContact O-N 3.15Å; L363-S366 WeakPolarHBondContact O-CB 3.38Å; L363-S366 PolarHBondContact O-OG 2.74Å; L363-P455 HydrophobicContact CD2-CG 4.43Å; L363-A456 HydrophobicContact CB-CB 3.9Å; L363-A456 HydrophobicContact CD1-CB 4.28Å |
| 364 | S | 81.1 | Confident | 64.6 | Low | 11 Ų | 11 | 69.2 Ų | 69.2 | 8% | 0.077 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | 150.8 | 175.3 | 67.3 | 0 | 0 | 0 | 0 | 110.1 | L362 S366 R452 F454 P455 F515 A596 | L362-S364 PolarHBondContact O-N 2.76Å; S364-S366 VanDerWaalsContact C-N 3.27Å; S364-S366 PolarHBondContact O-N 3.02Å; S364-R452 PolarHBondContact OG-O 3.33Å; S364-F454 WeakPolarHBondContact O-CA 3.26Å; S364-F454 PolarHBondContact OG-N 3.45Å; S364-P455 VanDerWaalsContact OG-CD 3.25Å; S364-P455 WeakPolarHBondContact OG-CD 3.1Å; S364-F515 WeakPolarHBondContact OG-CE1 3.42Å; S364-A596 WeakPolarHBondContact CB-O 3.35Å |
| 365 | G | 78.3 | Confident | 66.4 | Low | 2 Ų | 2 | 71 Ų | 71 | 2% | 0.021 | 40% | 0.403 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.2 | 7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | L600 | G365-L600 WeakPolarHBondContact O-CD1 3.45Š|
| 366 | S | 80.4 | Confident | 68.4 | Low | 13 Ų | 13 | 70.8 Ų | 70.8 | 9% | 0.091 | 41% | 0.406 | C | S | . | . | trans | -82.5 | 160.7 | 173.3 | 57.1 | 0 | 0 | 0 | 0 | 112.1 | L362 L363 S364 P599 L600 | L362-S366 WeakPolarHBondContact CD2-OG 3.46Å; L362-S366 WeakPolarHBondContact CG-OG 3.45Å; L363-S366 WeakPolarHBondContact O-CB 3.38Å; L363-S366 PolarHBondContact O-OG 2.74Å; S364-S366 VanDerWaalsContact C-N 3.27Å; S364-S366 PolarHBondContact O-N 3.02Å; S366-P599 CarbonylContact O-C 3.06Å; S366-P599 VanDerWaalsContact O-CA 3.23Å; S366-P599 WeakPolarHBondContact O-CA 3.41Å; S366-L600 PolarHBondContact O-N 2.95Å | ||
| 367 | G | 68.1 | Low | 70.5 | Confident | 21 Ų | 21 | 70.8 Ų | 70.8 | 22% | 0.216 | 40% | 0.403 | C | S | . | . | S | Bend | trans | 117.9 | 138.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 368 | E | 62.1 | Low | 72.6 | Confident | 149 Ų | 149 | 73.6 Ų | 73.6 | 70% | 0.696 | 41% | 0.41 | S | S | * | . | trans | -79.6 | 130.9 | 173.8 | -71.4 | 175.8 | -167.3 | 0 | 0 | 108.5 | K169 | K169-E368 IonicContact NZ-OE1 3.31Š| ||
| 369 | V | 63 | Low | 74.3 | Confident | 58 Ų | 58 | 71.5 Ų | 71.5 | 35% | 0.352 | 40% | 0.398 | S | S | . | . | trans | -109.8 | 103.2 | -178.1 | 179.4 | 0 | 0 | 0 | 0 | 105.7 | D409 L600 F604 | V369-D409 WeakPolarHBondContact CG1-OD2 3.12Å; V369-L600 HydrophobicContact CG2-CB 4.04Å; V369-L600 HydrophobicContact CG2-CD1 4.43Å; V369-F604 HydrophobicContact CG1-CD2 4.43Å; V369-F604 HydrophobicContact CG1-CE2 3.9Å; V369-F604 HydrophobicContact CG2-CE2 3.74Å | ||
| 370 | S | 60.2 | Low | 75.7 | Confident | 47 Ų | 47 | 70.7 Ų | 70.7 | 33% | 0.329 | 39% | 0.394 | S | S | . | . | trans | -76.2 | 130.8 | -176 | -177.2 | 0 | 0 | 0 | 0 | 110.6 | E372 | S370-E372 VanDerWaalsContact C-N 3.31Å; S370-E372 PolarHBondContact OG-N 2.97Å | ||
| 371 | S | 60.1 | Low | 76.9 | Confident | 90 Ų | 90 | 65.5 Ų | 65.5 | 63% | 0.629 | 37% | 0.369 | S | S | * | . | trans | -89.8 | 8.5 | 171.4 | 56.2 | 0 | 0 | 0 | 0 | 112.8 | C373 Q410 | S371-C373 PolarHBondContact O-N 2.85Å; S371-Q410 PolarHBondContact O-NE2 3.36Å | ||
| 372 | E | 64.6 | Low | 77.7 | Confident | 176 Ų | 176 | 66 Ų | 66 | 82% | 0.822 | 37% | 0.37 | S | S | * | . | trans | -84.8 | 114.6 | -178.8 | -63.9 | -174.9 | 178.1 | 0 | 0 | 111.5 | S370 | S370-E372 VanDerWaalsContact C-N 3.31Å; S370-E372 PolarHBondContact OG-N 2.97Å | ||
| 373 | C | 72.9 | Confident | 78.2 | Confident | 41 Ų | 41 | 70.5 Ų | 70.5 | 28% | 0.277 | 39% | 0.39 | S | S | . | . | trans | -118 | 119.9 | 172.2 | -176.6 | 0 | 0 | 0 | 0 | 109.5 | S371 P408 | S371-C373 PolarHBondContact O-N 2.85Å; C373-P408 HydrophobicContact CB-CB 4.27Å | ||
| 374 | S | 80.2 | Confident | 78.9 | Confident | 68 Ų | 68 | 65.8 Ų | 65.8 | 48% | 0.476 | 37% | 0.366 | S | S | . | . | trans | -65.4 | 145.7 | 176.2 | 71.7 | 0 | 0 | 0 | 0 | 111.3 | L376 V377 R378 | S374-L376 PolarHBondContact O-N 2.84Å; S374-L376 VanDerWaalsContact O-N 3.15Å; S374-V377 PolarHBondContact O-N 2.83Å; S374-V377 WeakPolarHBondContact OG-CB 3.38Å; S374-V377 WeakPolarHBondContact OG-CG2 3.44Å; S374-V377 PolarHBondContact OG-N 2.9Å; S374-R378 PolarHBondContact O-N 2.93Å | ||
| 375 | D | 81.7 | Confident | 79.4 | Confident | 115 Ų | 115 | 67 Ų | 67 | 62% | 0.615 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -55.8 | -34.8 | -179.6 | -76.8 | -49.6 | 0 | 0 | 0 | 113.5 | R378 A379 | D375-R378 PolarHBondContact O-N 2.78Å; D375-R378 IonicContact OD1-CZ 3.83Å; D375-R378 IonicContact OD1-NE 3.41Å; D375-R378 IonicContact OD1-NH2 2.74Å; D375-R378 PolarHBondContact OD1-NH2 3.42Å; D375-A379 WeakPolarHBondContact O-CB 3.47Å; D375-A379 PolarHBondContact O-N 2.62Å |
| 376 | L | 85.2 | Confident | 80 | Confident | 126 Ų | 126 | 70.1 Ų | 70.1 | 66% | 0.66 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -66.6 | -43.6 | 177.3 | -178 | 65.2 | 0 | 0 | 0 | 112.1 | S374 R378 A379 N380 | S374-L376 PolarHBondContact O-N 2.84Å; S374-L376 VanDerWaalsContact O-N 3.15Å; L376-R378 VanDerWaalsContact C-N 3.34Å; L376-A379 PolarHBondContact O-N 2.92Å; L376-N380 VanDerWaalsContact O-CG 3.29Å; L376-N380 PolarHBondContact O-N 2.85Å; L376-N380 VanDerWaalsContact O-N 3.12Å; L376-N380 PolarHBondContact O-ND2 3.04Å |
| 377 | V | 85.2 | Confident | 80.5 | Confident | 57 Ų | 57 | 73.4 Ų | 73.4 | 35% | 0.345 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -64.3 | -44 | 177.3 | 170.8 | 0 | 0 | 0 | 0 | 109.8 | S374 N380 W381 P408 | S374-V377 PolarHBondContact O-N 2.83Å; S374-V377 WeakPolarHBondContact OG-CB 3.38Å; S374-V377 WeakPolarHBondContact OG-CG2 3.44Å; S374-V377 PolarHBondContact OG-N 2.9Å; V377-N380 PolarHBondContact O-N 2.71Å; V377-W381 VanDerWaalsContact O-CD1 3.28Å; V377-W381 PolarHBondContact O-N 3.14Å; V377-W381 VanDerWaalsContact O-N 3.13Å; V377-P408 HydrophobicContact CG1-CG 3.81Å |
| 378 | R | 85.7 | Confident | 81.6 | Confident | 112 Ų | 112 | 72.6 Ų | 72.6 | 42% | 0.423 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -59.1 | -47.8 | 176.2 | -171.5 | 177.8 | 56 | 72.3 | -1.5 | 111.7 | S374 D375 L376 N380 W381 D382 | S374-R378 PolarHBondContact O-N 2.93Å; D375-R378 PolarHBondContact O-N 2.78Å; D375-R378 IonicContact OD1-CZ 3.83Å; D375-R378 IonicContact OD1-NE 3.41Å; D375-R378 IonicContact OD1-NH2 2.74Å; D375-R378 PolarHBondContact OD1-NH2 3.42Å; L376-R378 VanDerWaalsContact C-N 3.34Å; R378-N380 VanDerWaalsContact C-N 3.34Å; R378-N380 PolarHBondContact O-N 3.39Å; R378-W381 PolarHBondContact O-N 3.5Å; R378-W381 VanDerWaalsContact O-N 3.15Å; R378-D382 IonicContact NH1-OD2 2.81Å; R378-D382 PolarHBondContact NH1-OD2 3.29Å; R378-D382 VanDerWaalsContact NH1-OD2 3.08Å; R378-D382 VanDerWaalsContact O-CG 3.25Å; R378-D382 PolarHBondContact O-N 3.39Å |
| 379 | A | 88.7 | Confident | 82.8 | Confident | 49 Ų | 49 | 69.6 Ų | 69.6 | 41% | 0.405 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -59.3 | -41.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | D375 L376 W381 D382 E383 | D375-A379 WeakPolarHBondContact O-CB 3.47Å; D375-A379 PolarHBondContact O-N 2.62Å; L376-A379 PolarHBondContact O-N 2.92Å; A379-W381 VanDerWaalsContact C-N 3.34Å; A379-W381 PolarHBondContact O-N 2.93Å; A379-D382 PolarHBondContact O-N 2.81Å; A379-E383 PolarHBondContact O-N 3.1Å |
| 380 | N | 91.9 | Very high | 84 | Confident | 71 Ų | 71 | 74.7 Ų | 74.7 | 38% | 0.38 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -64.6 | -38.5 | 176.9 | -68.8 | -19 | 0 | 0 | 0 | 112.2 | L376 V377 R378 C384 L402 | L376-N380 VanDerWaalsContact O-CG 3.29Å; L376-N380 PolarHBondContact O-N 2.85Å; L376-N380 VanDerWaalsContact O-N 3.12Å; L376-N380 PolarHBondContact O-ND2 3.04Å; V377-N380 PolarHBondContact O-N 2.71Å; R378-N380 VanDerWaalsContact C-N 3.34Å; R378-N380 PolarHBondContact O-N 3.39Å; N380-C384 WeakPolarHBondContact O-CB 3.3Å; N380-C384 PolarHBondContact O-N 3.47Å; N380-C384 VanDerWaalsContact O-N 3.14Å; N380-L402 HydrophobicContact CB-CD2 4.13Å |
| 381 | W | 93.1 | Very high | 85.3 | Confident | 3 Ų | 3 | 76.1 Ų | 76.1 | 1% | 0.011 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -69.1 | -43.7 | 174.7 | -84.5 | 104.4 | 0 | 0 | 0 | 111.9 | V377 R378 A379 E383 C384 L385 M399 L402 I403 I407 P408 L411 V415 | V377-W381 VanDerWaalsContact O-CD1 3.28Å; V377-W381 PolarHBondContact O-N 3.14Å; V377-W381 VanDerWaalsContact O-N 3.13Å; R378-W381 PolarHBondContact O-N 3.5Å; R378-W381 VanDerWaalsContact O-N 3.15Å; A379-W381 VanDerWaalsContact C-N 3.34Å; A379-W381 PolarHBondContact O-N 2.93Å; W381-E383 VanDerWaalsContact C-N 3.34Å; W381-E383 PolarHBondContact O-N 2.89Å; W381-C384 PolarHBondContact O-N 3.35Å; W381-L385 HydrophobicContact CE3-CG 4.42Å; W381-L385 WeakPolarHBondContact O-CB 3.5Å; W381-L385 VanDerWaalsContact O-CG 3.27Å; W381-L385 WeakPolarHBondContact O-CG 3.37Å; W381-L385 PolarHBondContact O-N 2.84Å; W381-M399 HydrophobicContact CH2-SD 4.19Å; W381-M399 HydrophobicContact CZ3-SD 3.67Å; W381-L402 HydrophobicContact CD2-CB 4.4Å; W381-L402 HydrophobicContact CD2-CD1 4.31Å; W381-L402 HydrophobicContact CE3-CD1 4.43Å; W381-L402 HydrophobicContact CH2-CB 3.85Å; W381-L402 HydrophobicContact CZ2-CB 3.55Å; W381-L402 HydrophobicContact CZ3-CB 4.41Å; W381-I403 HydrophobicContact CH2-CG1 3.75Å; W381-I407 HydrophobicContact CH2-CB 4.36Å; W381-I407 HydrophobicContact CH2-CD1 4.25Å; W381-I407 HydrophobicContact CH2-CG1 3.65Å; W381-I407 HydrophobicContact CH2-CG2 4.33Å; W381-I407 HydrophobicContact CZ2-CB 4.15Å; W381-I407 HydrophobicContact CZ2-CG1 3.78Å; W381-I407 HydrophobicContact CZ2-CG2 4.3Å; W381-P408 HydrophobicContact CG-CG 4.46Å; W381-L411 HydrophobicContact CB-CD1 3.61Å; W381-L411 HydrophobicContact CD2-CD1 4.44Å; W381-L411 HydrophobicContact CG-CD1 3.9Å; W381-V415 HydrophobicContact CZ3-CG1 4.17Å; W381-V415 HydrophobicContact CZ3-CG2 4.31Å |
| 382 | D | 90.3 | Very high | 86.6 | Confident | 62 Ų | 62 | 75 Ų | 75 | 33% | 0.332 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -59 | -44.1 | 177.7 | -69.1 | -22.1 | 0 | 0 | 0 | 111.2 | R378 A379 S386 | R378-D382 IonicContact NH1-OD2 2.81Å; R378-D382 PolarHBondContact NH1-OD2 3.29Å; R378-D382 VanDerWaalsContact NH1-OD2 3.08Å; R378-D382 VanDerWaalsContact O-CG 3.25Å; R378-D382 PolarHBondContact O-N 3.39Å; A379-D382 PolarHBondContact O-N 2.81Å; D382-S386 VanDerWaalsContact O-CB 3.29Å; D382-S386 WeakPolarHBondContact O-CB 3.32Å; D382-S386 PolarHBondContact O-N 2.99Å; D382-S386 PolarHBondContact O-OG 3Å |
| 383 | E | 91.9 | Very high | 87.5 | Confident | 107 Ų | 107 | 75.6 Ų | 75.6 | 50% | 0.5 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -63.8 | -45.3 | 175.6 | -172 | -172.2 | 160.6 | 0 | 0 | 111.8 | A379 W381 S386 K387 | A379-E383 PolarHBondContact O-N 3.1Å; W381-E383 VanDerWaalsContact C-N 3.34Å; W381-E383 PolarHBondContact O-N 2.89Å; E383-S386 PolarHBondContact O-N 2.93Å; E383-K387 WeakPolarHBondContact O-CG 3.5Å; E383-K387 PolarHBondContact O-N 2.98Å; E383-K387 VanDerWaalsContact OE1-CE 3.29Å; E383-K387 WeakPolarHBondContact OE1-CE 3.18Å; E383-K387 IonicContact OE1-NZ 2.79Å; E383-K387 PolarHBondContact OE1-NZ 2.75Å |
| 384 | C | 92.3 | Very high | 88.1 | Confident | 4 Ų | 4 | 81.3 Ų | 81.3 | 3% | 0.027 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -64.5 | -44.2 | -179.8 | -169.9 | 0 | 0 | 0 | 0 | 111.9 | N380 W381 K387 W388 M399 L402 | N380-C384 WeakPolarHBondContact O-CB 3.3Å; N380-C384 PolarHBondContact O-N 3.47Å; N380-C384 VanDerWaalsContact O-N 3.14Å; W381-C384 PolarHBondContact O-N 3.35Å; C384-K387 PolarHBondContact O-N 2.9Å; C384-W388 PolarHBondContact O-N 2.83Å; C384-M399 VanDerWaalsContact SG-CE 3.54Å; C384-L402 HydrophobicContact CB-CD1 3.59Å |
| 385 | L | 92.3 | Very high | 88.5 | Confident | 35 Ų | 35 | 82.6 Ų | 82.6 | 18% | 0.183 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -68.2 | -37.3 | 178.1 | -68.6 | 173.4 | 0 | 0 | 0 | 111.8 | W381 W388 S389 M399 V415 L418 | W381-L385 HydrophobicContact CE3-CG 4.42Å; W381-L385 WeakPolarHBondContact O-CB 3.5Å; W381-L385 VanDerWaalsContact O-CG 3.27Å; W381-L385 WeakPolarHBondContact O-CG 3.37Å; W381-L385 PolarHBondContact O-N 2.84Å; L385-W388 HydrophobicContact CD2-CE3 4.25Å; L385-W388 PolarHBondContact O-N 2.85Å; L385-S389 WeakPolarHBondContact O-CB 3.16Å; L385-S389 PolarHBondContact O-N 3.26Å; L385-M399 HydrophobicContact CD2-CE 4.41Å; L385-V415 HydrophobicContact CD1-CG2 4.11Å; L385-V415 HydrophobicContact CD2-CG2 3.96Å; L385-L418 HydrophobicContact CD2-CD1 4.18Å |
| 386 | S | 90.5 | Very high | 88.9 | Confident | 68 Ų | 68 | 78 Ų | 78 | 48% | 0.476 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -59.5 | -49.1 | 173.3 | -60.8 | 0 | 0 | 0 | 0 | 110.9 | D382 E383 W388 S389 E390 | D382-S386 VanDerWaalsContact O-CB 3.29Å; D382-S386 WeakPolarHBondContact O-CB 3.32Å; D382-S386 PolarHBondContact O-N 2.99Å; D382-S386 PolarHBondContact O-OG 3Å; E383-S386 PolarHBondContact O-N 2.93Å; S386-W388 VanDerWaalsContact C-N 3.32Å; S386-W388 PolarHBondContact O-N 2.79Å; S386-S389 PolarHBondContact O-N 3.08Å; S386-S389 PolarHBondContact O-OG 2.98Å; S386-E390 PolarHBondContact O-N 2.83Å |
| 387 | K | 89.9 | Confident | 89 | Confident | 83 Ų | 83 | 81.2 Ų | 81.2 | 36% | 0.361 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -60.8 | -39.2 | 175.8 | -71.4 | 176 | -172.6 | 166.7 | 0 | 112.7 | E383 C384 S389 E390 P396 | E383-K387 WeakPolarHBondContact O-CG 3.5Å; E383-K387 PolarHBondContact O-N 2.98Å; E383-K387 VanDerWaalsContact OE1-CE 3.29Å; E383-K387 WeakPolarHBondContact OE1-CE 3.18Å; E383-K387 IonicContact OE1-NZ 2.79Å; E383-K387 PolarHBondContact OE1-NZ 2.75Å; C384-K387 PolarHBondContact O-N 2.9Å; K387-S389 VanDerWaalsContact C-N 3.35Å; K387-E390 PolarHBondContact O-N 2.71Å; K387-P396 HydrophobicContact CB-CG 4.1Å |
| 388 | W | 91.4 | Very high | 89.3 | Confident | 4 Ų | 4 | 83.2 Ų | 83.2 | 2% | 0.015 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -70.7 | -33.5 | 178.8 | -164.2 | 14.2 | 0 | 0 | 0 | 112 | C384 L385 S386 E390 N391 L392 R395 P396 M399 L418 L419 | C384-W388 PolarHBondContact O-N 2.83Å; L385-W388 HydrophobicContact CD2-CE3 4.25Å; L385-W388 PolarHBondContact O-N 2.85Å; S386-W388 VanDerWaalsContact C-N 3.32Å; S386-W388 PolarHBondContact O-N 2.79Å; W388-E390 PolarHBondContact O-N 3.45Å; W388-N391 CarbonylContact O-C 3.48Å; W388-N391 PolarHBondContact O-N 3Å; W388-N391 VanDerWaalsContact O-N 3.12Å; W388-L392 PolarHBondContact NE1-O 3.48Å; W388-L392 PolarHBondContact O-N 3.1Å; W388-R395 HydrophobicContact CZ2-CG 3.81Å; W388-P396 HydrophobicContact CB-CG 3.85Å; W388-P396 HydrophobicContact CG-CG 4.43Å; W388-M399 HydrophobicContact CB-CE 4.45Å; W388-M399 HydrophobicContact CD2-CE 3.91Å; W388-M399 HydrophobicContact CE3-CE 3.24Å; W388-M399 HydrophobicContact CG-CE 4.43Å; W388-M399 HydrophobicContact CZ3-CE 3.71Å; W388-L418 HydrophobicContact CE3-CB 4.26Å; W388-L418 HydrophobicContact CE3-CD1 4.12Å; W388-L418 HydrophobicContact CH2-CB 3.6Å; W388-L418 HydrophobicContact CZ2-CB 4.37Å; W388-L418 HydrophobicContact CZ3-CB 3.53Å; W388-L418 HydrophobicContact CZ3-CD1 4.12Å; W388-L418 HydrophobicContact CZ3-CG 4.47Å; W388-L419 HydrophobicContact CH2-CD2 3.74Å; W388-L419 HydrophobicContact CH2-CG 4.06Å; W388-L419 HydrophobicContact CZ3-CD2 4.26Å; W388-L419 HydrophobicContact CZ3-CG 4.41Å |
| 389 | S | 87.6 | Confident | 89.6 | Confident | 85 Ų | 85 | 77.9 Ų | 77.9 | 59% | 0.594 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -64.1 | -25.6 | 177.5 | 76.4 | 0 | 0 | 0 | 0 | 113.5 | L385 S386 K387 N391 | L385-S389 WeakPolarHBondContact O-CB 3.16Å; L385-S389 PolarHBondContact O-N 3.26Å; S386-S389 PolarHBondContact O-N 3.08Å; S386-S389 PolarHBondContact O-OG 2.98Å; K387-S389 VanDerWaalsContact C-N 3.35Å; S389-N391 VanDerWaalsContact C-N 3.35Å |
| 390 | E | 88.2 | Confident | 89.6 | Confident | 166 Ų | 166 | 78.4 Ų | 78.4 | 78% | 0.776 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -69.1 | -32 | 174.1 | -65.3 | 177.8 | -178.5 | 0 | 0 | 112.5 | S386 K387 W388 | S386-E390 PolarHBondContact O-N 2.83Å; K387-E390 PolarHBondContact O-N 2.71Å; W388-E390 PolarHBondContact O-N 3.45Å |
| 391 | N | 87.7 | Confident | 89.6 | Confident | 77 Ų | 77 | 78.5 Ų | 78.5 | 41% | 0.412 | 39% | 0.394 | S | S | . | . | trans | -151.6 | 94.9 | 177.3 | -173.3 | -13.7 | 0 | 0 | 0 | 111.5 | W388 S389 E393 K394 | W388-N391 CarbonylContact O-C 3.48Å; W388-N391 PolarHBondContact O-N 3Å; W388-N391 VanDerWaalsContact O-N 3.12Å; S389-N391 VanDerWaalsContact C-N 3.35Å; N391-E393 PolarHBondContact O-N 3.12Å; N391-E393 WeakPolarHBondContact OD1-CB 3.37Å; N391-E393 PolarHBondContact OD1-N 3.21Å; N391-E393 VanDerWaalsContact OD1-N 3.11Å; N391-K394 PolarHBondContact O-N 3.22Å | ||
| 392 | L | 86.5 | Confident | 89.5 | Confident | 67 Ų | 67 | 79.6 Ų | 79.6 | 35% | 0.351 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -24.3 | -178.1 | -64.9 | 175.8 | 0 | 0 | 0 | 113.6 | W388 K394 L418 | W388-L392 PolarHBondContact NE1-O 3.48Å; W388-L392 PolarHBondContact O-N 3.1Å; L392-K394 VanDerWaalsContact C-N 3.28Å; L392-K394 PolarHBondContact O-N 2.71Å; L392-L418 HydrophobicContact CD2-CD2 4.11Å |
| 393 | E | 83.5 | Confident | 89.7 | Confident | 188 Ų | 188 | 76.8 Ų | 76.8 | 88% | 0.879 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -22.6 | 179.4 | -58.9 | -174.9 | 166.2 | 0 | 0 | 112.8 | N391 | N391-E393 PolarHBondContact O-N 3.12Å; N391-E393 WeakPolarHBondContact OD1-CB 3.37Å; N391-E393 PolarHBondContact OD1-N 3.21Å; N391-E393 VanDerWaalsContact OD1-N 3.11Å |
| 394 | K | 86.7 | Confident | 89.6 | Confident | 160 Ų | 160 | 75.8 Ų | 75.8 | 70% | 0.696 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -123.3 | 100.4 | -174.6 | -168.8 | 178.6 | -179 | -179.4 | 0 | 111.9 | N391 L392 | N391-K394 PolarHBondContact O-N 3.22Å; L392-K394 VanDerWaalsContact C-N 3.28Å; L392-K394 PolarHBondContact O-N 2.71Å |
| 395 | R | 88.4 | Confident | 89.4 | Confident | 96 Ų | 96 | 80 Ų | 80 | 36% | 0.362 | 40% | 0.399 | S | S | . | . | trans | -59.4 | 132 | 175.1 | -64 | -177.8 | -179 | 179.7 | -2.4 | 111.3 | W388 L419 S612 | W388-R395 HydrophobicContact CZ2-CG 3.81Å; R395-L419 PolarHBondContact NH2-O 3.17Å; R395-S612 PolarHBondContact NH1-O 3.14Å | ||
| 396 | P | 90.1 | Very high | 89.3 | Confident | 19 Ų | 19 | 78.9 Ų | 78.9 | 12% | 0.123 | 40% | 0.395 | C | S | . | . | trans | -56.6 | 148.9 | 171.5 | -24.9 | 33.7 | 0 | 0 | 0 | 112.1 | K387 W388 E398 M399 | K387-P396 HydrophobicContact CB-CG 4.1Å; W388-P396 HydrophobicContact CB-CG 3.85Å; W388-P396 HydrophobicContact CG-CG 4.43Å; P396-E398 VanDerWaalsContact C-N 3.27Å; P396-E398 WeakPolarHBondContact CB-OE2 3.49Å; P396-E398 PolarHBondContact O-N 3.41Å; P396-M399 WeakPolarHBondContact O-CB 3.48Å; P396-M399 PolarHBondContact O-N 2.89Å | ||
| 397 | K | 88.2 | Confident | 89.3 | Confident | 193 Ų | 193 | 75.7 Ų | 75.7 | 84% | 0.839 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -32.1 | -176.7 | -71.5 | -178.1 | 178.3 | 178.3 | 0 | 112.1 | M399 | K397-M399 VanDerWaalsContact C-N 3.25Å; K397-M399 PolarHBondContact O-N 3.34Å |
| 398 | E | 90.3 | Very high | 89.3 | Confident | 98 Ų | 98 | 72.4 Ų | 72.4 | 46% | 0.458 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -25.2 | -179.4 | -55.5 | 81.3 | -176.2 | 0 | 0 | 112 | P396 V400 S401 L402 | P396-E398 VanDerWaalsContact C-N 3.27Å; P396-E398 WeakPolarHBondContact CB-OE2 3.49Å; P396-E398 PolarHBondContact O-N 3.41Å; E398-V400 VanDerWaalsContact C-N 3.31Å; E398-V400 PolarHBondContact O-N 2.96Å; E398-S401 WeakPolarHBondContact O-CB 3.28Å; E398-S401 PolarHBondContact O-N 3.39Å; E398-L402 PolarHBondContact O-N 3.06Å |
| 399 | M | 91.4 | Very high | 89.2 | Confident | 1 Ų | 1 | 73.9 Ų | 73.9 | 1% | 0.005 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -52.1 | -46.5 | -177.2 | -175.9 | 65.8 | 76.9 | 0 | 0 | 112.3 | W381 C384 L385 W388 P396 K397 S401 L402 I403 | W381-M399 HydrophobicContact CH2-SD 4.19Å; W381-M399 HydrophobicContact CZ3-SD 3.67Å; C384-M399 VanDerWaalsContact SG-CE 3.54Å; L385-M399 HydrophobicContact CD2-CE 4.41Å; W388-M399 HydrophobicContact CB-CE 4.45Å; W388-M399 HydrophobicContact CD2-CE 3.91Å; W388-M399 HydrophobicContact CE3-CE 3.24Å; W388-M399 HydrophobicContact CG-CE 4.43Å; W388-M399 HydrophobicContact CZ3-CE 3.71Å; P396-M399 WeakPolarHBondContact O-CB 3.48Å; P396-M399 PolarHBondContact O-N 2.89Å; K397-M399 VanDerWaalsContact C-N 3.25Å; K397-M399 PolarHBondContact O-N 3.34Å; M399-S401 VanDerWaalsContact C-N 3.29Å; M399-S401 PolarHBondContact O-N 2.74Å; M399-L402 PolarHBondContact O-N 2.91Å; M399-L402 VanDerWaalsContact O-N 3.14Å; M399-I403 HydrophobicContact CG-CD1 3.68Å; M399-I403 HydrophobicContact CG-CG1 4.27Å; M399-I403 VanDerWaalsContact O-CG1 3.31Å; M399-I403 WeakPolarHBondContact O-CG1 3.28Å; M399-I403 PolarHBondContact O-N 3.2Å; M399-I403 HydrophobicContact SD-CD1 4Å; M399-I403 HydrophobicContact SD-CG1 4.2Å |
| 400 | V | 89.8 | Confident | 89.1 | Confident | 60 Ų | 60 | 74.8 Ų | 74.8 | 36% | 0.364 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.6 | -39.9 | -178.5 | 179.9 | 0 | 0 | 0 | 0 | 111 | E398 R404 | E398-V400 VanDerWaalsContact C-N 3.31Å; E398-V400 PolarHBondContact O-N 2.96Å; V400-R404 WeakPolarHBondContact O-CB 3.49Å; V400-R404 WeakPolarHBondContact O-CG 3.43Å; V400-R404 PolarHBondContact O-N 3.04Å; V400-R404 VanDerWaalsContact O-N 3.11Å |
| 401 | S | 90.8 | Very high | 89.3 | Confident | 72 Ų | 72 | 68.3 Ų | 68.3 | 50% | 0.503 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -68.5 | -37.2 | 177.4 | -170.7 | 0 | 0 | 0 | 0 | 112 | E398 M399 N405 | E398-S401 WeakPolarHBondContact O-CB 3.28Å; E398-S401 PolarHBondContact O-N 3.39Å; M399-S401 VanDerWaalsContact C-N 3.29Å; M399-S401 PolarHBondContact O-N 2.74Å; S401-N405 PolarHBondContact O-N 3.4Å; S401-N405 PolarHBondContact O-ND2 3.34Å |
| 402 | L | 92.7 | Very high | 89.6 | Confident | 26 Ų | 26 | 64.9 Ų | 64.9 | 14% | 0.136 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -67.7 | -46.6 | 177.9 | -68.9 | 175 | 0 | 0 | 0 | 111.3 | N380 W381 C384 E398 M399 R404 N405 G406 | N380-L402 HydrophobicContact CB-CD2 4.13Å; W381-L402 HydrophobicContact CD2-CB 4.4Å; W381-L402 HydrophobicContact CD2-CD1 4.31Å; W381-L402 HydrophobicContact CE3-CD1 4.43Å; W381-L402 HydrophobicContact CH2-CB 3.85Å; W381-L402 HydrophobicContact CZ2-CB 3.55Å; W381-L402 HydrophobicContact CZ3-CB 4.41Å; C384-L402 HydrophobicContact CB-CD1 3.59Å; E398-L402 PolarHBondContact O-N 3.06Å; M399-L402 PolarHBondContact O-N 2.91Å; M399-L402 VanDerWaalsContact O-N 3.14Å; L402-R404 VanDerWaalsContact C-N 3.3Å; L402-R404 PolarHBondContact O-N 2.98Å; L402-N405 PolarHBondContact O-N 2.94Å; L402-N405 VanDerWaalsContact O-N 3.09Å; L402-G406 PolarHBondContact O-N 2.96Å |
| 403 | I | 92.7 | Very high | 89.9 | Confident | 3 Ų | 3 | 62 Ų | 62 | 2% | 0.015 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59.3 | -42 | 177.2 | -66.6 | 173.9 | 0 | 0 | 0 | 110.8 | W381 M399 N405 G406 I407 L419 D608 L609 | W381-I403 HydrophobicContact CH2-CG1 3.75Å; M399-I403 HydrophobicContact CG-CD1 3.68Å; M399-I403 HydrophobicContact CG-CG1 4.27Å; M399-I403 VanDerWaalsContact O-CG1 3.31Å; M399-I403 WeakPolarHBondContact O-CG1 3.28Å; M399-I403 PolarHBondContact O-N 3.2Å; M399-I403 HydrophobicContact SD-CD1 4Å; M399-I403 HydrophobicContact SD-CG1 4.2Å; I403-N405 PolarHBondContact O-N 2.9Å; I403-G406 WeakPolarHBondContact O-CA 3.33Å; I403-G406 PolarHBondContact O-N 3.34Å; I403-I407 HydrophobicContact CG1-CD1 4.31Å; I403-I407 HydrophobicContact CG1-CG1 4.39Å; I403-L419 HydrophobicContact CD1-CD1 3.98Å; I403-L419 HydrophobicContact CD1-CD2 3.99Å; I403-D608 HydrophobicContact CG2-CB 4.09Å; I403-D608 WeakPolarHBondContact CG2-O 3.45Å; I403-L609 HydrophobicContact CG2-CD2 4.23Å |
| 404 | R | 90.3 | Very high | 90.3 | Very high | 86 Ų | 86 | 57.2 Ų | 57.2 | 33% | 0.325 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -65.4 | -23.7 | 178 | -72.6 | 175.7 | 178.4 | -170.4 | -1.8 | 114.2 | V400 L402 G406 L609 E613 Q664 V667 | V400-R404 WeakPolarHBondContact O-CB 3.49Å; V400-R404 WeakPolarHBondContact O-CG 3.43Å; V400-R404 PolarHBondContact O-N 3.04Å; V400-R404 VanDerWaalsContact O-N 3.11Å; L402-R404 VanDerWaalsContact C-N 3.3Å; L402-R404 PolarHBondContact O-N 2.98Å; R404-G406 VanDerWaalsContact C-N 3.33Å; R404-L609 HydrophobicContact CG-CD2 3.95Å; R404-E613 IonicContact CZ-OE1 3.79Å; R404-E613 IonicContact NE-OE1 3.7Å; R404-E613 PolarHBondContact NE-OE1 3.42Å; R404-E613 IonicContact NH2-OE1 2.66Å; R404-E613 PolarHBondContact NH2-OE1 3.36Å; R404-Q664 PolarHBondContact O-NE2 2.88Å; R404-V667 HydrophobicContact CG-CG1 4.01Å |
| 405 | N | 88.1 | Confident | 90.7 | Very high | 94 Ų | 94 | 49.6 Ų | 49.6 | 50% | 0.503 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -86.7 | -8.3 | 173.2 | -69.6 | -24.3 | 0 | 0 | 0 | 112.9 | S401 L402 I403 Q664 | S401-N405 PolarHBondContact O-N 3.4Å; S401-N405 PolarHBondContact O-ND2 3.34Å; L402-N405 PolarHBondContact O-N 2.94Å; L402-N405 VanDerWaalsContact O-N 3.09Å; I403-N405 PolarHBondContact O-N 2.9Å; N405-Q664 PolarHBondContact OD1-NE2 2.96Å |
| 406 | G | 89.5 | Confident | 91.1 | Very high | 10 Ų | 10 | 45 Ų | 45 | 10% | 0.103 | 23% | 0.232 | C | C | . | . | trans | 102.4 | 134.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L402 I403 R404 H605 | L402-G406 PolarHBondContact O-N 2.96Å; I403-G406 WeakPolarHBondContact O-CA 3.33Å; I403-G406 PolarHBondContact O-N 3.34Å; R404-G406 VanDerWaalsContact C-N 3.33Å; G406-H605 VanDerWaalsContact CA-CE1 3.49Å; G406-H605 WeakPolarHBondContact CA-CE1 3.47Å; G406-H605 WeakPolarHBondContact CA-ND1 3.3Å | ||
| 407 | I | 92 | Very high | 91.3 | Very high | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.01 | 23% | 0.233 | C | C | . | . | trans | -78.8 | 130.3 | 172.6 | -52.6 | -178.6 | 0 | 0 | 0 | 108.2 | W381 I403 L411 R412 V415 L419 D608 | W381-I407 HydrophobicContact CH2-CB 4.36Å; W381-I407 HydrophobicContact CH2-CD1 4.25Å; W381-I407 HydrophobicContact CH2-CG1 3.65Å; W381-I407 HydrophobicContact CH2-CG2 4.33Å; W381-I407 HydrophobicContact CZ2-CB 4.15Å; W381-I407 HydrophobicContact CZ2-CG1 3.78Å; W381-I407 HydrophobicContact CZ2-CG2 4.3Å; I403-I407 HydrophobicContact CG1-CD1 4.31Å; I403-I407 HydrophobicContact CG1-CG1 4.39Å; I407-L411 HydrophobicContact CG2-CB 4.18Å; I407-R412 HydrophobicContact CB-CG 3.86Å; I407-R412 HydrophobicContact CG2-CG 3.74Å; I407-R412 VanDerWaalsContact O-CZ 3.28Å; I407-R412 PolarHBondContact O-NE 3.3Å; I407-R412 PolarHBondContact O-NH2 3.31Å; I407-V415 HydrophobicContact CD1-CB 4.22Å; I407-V415 HydrophobicContact CD1-CG1 3.69Å; I407-V415 HydrophobicContact CG2-CB 4.22Å; I407-V415 HydrophobicContact CG2-CG2 4.2Å; I407-L419 HydrophobicContact CD1-CD1 4.32Å; I407-D608 HydrophobicContact CD1-CB 3.85Å; I407-D608 WeakPolarHBondContact CD1-OD1 3.4Å; I407-D608 HydrophobicContact CG1-CB 3.96Å; I407-D608 VanDerWaalsContact CG1-CG 3.48Å; I407-D608 PolarHBondContact N-OD2 2.88Å | ||
| 408 | P | 90.4 | Very high | 91.6 | Very high | 14 Ų | 14 | 39 Ų | 39 | 9% | 0.091 | 21% | 0.206 | C | C | . | . | trans | -57.9 | 140.2 | 172.3 | -26 | 34.3 | 0 | 0 | 0 | 111.9 | C373 V377 W381 Q410 L411 R412 | C373-P408 HydrophobicContact CB-CB 4.27Å; V377-P408 HydrophobicContact CG1-CG 3.81Å; W381-P408 HydrophobicContact CG-CG 4.46Å; P408-Q410 VanDerWaalsContact C-N 3.26Å; P408-Q410 PolarHBondContact O-N 3.1Å; P408-L411 HydrophobicContact CB-CD1 4.33Å; P408-L411 HydrophobicContact CB-CG 4.38Å; P408-L411 HydrophobicContact CG-CD1 4.16Å; P408-L411 PolarHBondContact O-N 3.37Å; P408-R412 PolarHBondContact O-N 3.39Å; P408-R412 VanDerWaalsContact O-N 3.16Å | ||
| 409 | D | 87.6 | Confident | 91.8 | Very high | 34 Ų | 34 | 34.5 Ų | 34.5 | 18% | 0.182 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -56.6 | -38.3 | -171.5 | -68.2 | 36.3 | 0 | 0 | 0 | 112.8 | V369 L411 R412 | V369-D409 WeakPolarHBondContact CG1-OD2 3.12Å; D409-L411 PolarHBondContact O-N 2.82Å; D409-R412 PolarHBondContact O-N 2.97Å; D409-R412 IonicContact OD1-CZ 2.74Å; D409-R412 IonicContact OD1-NH1 3.12Å; D409-R412 PolarHBondContact OD1-NH1 3.47Å; D409-R412 IonicContact OD1-NH2 3.84Å; D409-R412 PolarHBondContact OD1-NH2 3.17Å; D409-R412 IonicContact OD2-CZ 2.95Å; D409-R412 IonicContact OD2-NH1 2.78Å; D409-R412 PolarHBondContact OD2-NH1 2.95Å |
| 410 | Q | 86.7 | Confident | 91.9 | Very high | 104 Ų | 104 | 34.5 Ų | 34.5 | 49% | 0.486 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -66 | -25.5 | 177.1 | -59.6 | 82.7 | 11.2 | 0 | 0 | 113.6 | S371 P408 | S371-Q410 PolarHBondContact O-NE2 3.36Å; P408-Q410 VanDerWaalsContact C-N 3.26Å; P408-Q410 PolarHBondContact O-N 3.1Å |
| 411 | L | 91.7 | Very high | 92 | Very high | 31 Ų | 31 | 31.8 Ų | 31.8 | 16% | 0.162 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -96.6 | -20 | -175.3 | -60.5 | -178.7 | 0 | 0 | 0 | 112.5 | W381 I407 P408 D409 G413 D414 V415 | W381-L411 HydrophobicContact CB-CD1 3.61Å; W381-L411 HydrophobicContact CD2-CD1 4.44Å; W381-L411 HydrophobicContact CG-CD1 3.9Å; I407-L411 HydrophobicContact CG2-CB 4.18Å; P408-L411 HydrophobicContact CB-CD1 4.33Å; P408-L411 HydrophobicContact CB-CG 4.38Å; P408-L411 HydrophobicContact CG-CD1 4.16Å; P408-L411 PolarHBondContact O-N 3.37Å; D409-L411 PolarHBondContact O-N 2.82Å; L411-G413 PolarHBondContact O-N 2.77Å; L411-D414 PolarHBondContact O-N 3.34Å; L411-D414 VanDerWaalsContact O-N 3.09Å; L411-V415 HydrophobicContact CB-CG2 4.13Å; L411-V415 WeakPolarHBondContact O-CG2 3.36Å; L411-V415 PolarHBondContact O-N 2.96Å |
| 412 | R | 94.1 | Very high | 91.9 | Very high | 5 Ų | 5 | 29 Ų | 29 | 2% | 0.019 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -53.1 | -41.9 | -176.5 | -78.2 | -174 | -169.8 | 117.1 | 18.9 | 112.9 | I407 P408 D409 D414 V415 W416 H523 F604 D608 | I407-R412 HydrophobicContact CB-CG 3.86Å; I407-R412 HydrophobicContact CG2-CG 3.74Å; I407-R412 VanDerWaalsContact O-CZ 3.28Å; I407-R412 PolarHBondContact O-NE 3.3Å; I407-R412 PolarHBondContact O-NH2 3.31Å; P408-R412 PolarHBondContact O-N 3.39Å; P408-R412 VanDerWaalsContact O-N 3.16Å; D409-R412 PolarHBondContact O-N 2.97Å; D409-R412 IonicContact OD1-CZ 2.74Å; D409-R412 IonicContact OD1-NH1 3.12Å; D409-R412 PolarHBondContact OD1-NH1 3.47Å; D409-R412 IonicContact OD1-NH2 3.84Å; D409-R412 PolarHBondContact OD1-NH2 3.17Å; D409-R412 IonicContact OD2-CZ 2.95Å; D409-R412 IonicContact OD2-NH1 2.78Å; D409-R412 PolarHBondContact OD2-NH1 2.95Å; R412-D414 VanDerWaalsContact C-N 3.31Å; R412-D414 PolarHBondContact O-N 2.98Å; R412-V415 PolarHBondContact O-N 3.33Å; R412-W416 HydrophobicContact CB-CD2 4.17Å; R412-W416 HydrophobicContact CB-CZ2 4.22Å; R412-W416 HydrophobicContact CG-CZ2 4.13Å; R412-W416 WeakPolarHBondContact O-CB 3.31Å; R412-W416 PolarHBondContact O-N 3.39Å; R412-H523 HydrophobicContact CB-CB 4.33Å; R412-H523 PolarHBondContact NH1-NE2 3.41Å; R412-F604 VanDerWaalsContact NH1-CD2 3.32Å; R412-D608 IonicContact NE-OD1 2.94Å; R412-D608 IonicContact NE-OD2 2.94Å |
| 413 | G | 92.9 | Very high | 91.7 | Very high | 7 Ų | 7 | 31.7 Ų | 31.7 | 7% | 0.072 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -51 | -50.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L411 Q417 H523 | L411-G413 PolarHBondContact O-N 2.77Å; G413-Q417 VanDerWaalsContact O-CG 3.32Å; G413-Q417 WeakPolarHBondContact O-CG 3.29Å; G413-Q417 PolarHBondContact O-NE2 2.78Å; G413-H523 WeakPolarHBondContact CA-O 3.4Å |
| 414 | D | 92.6 | Very high | 91.3 | Very high | 87 Ų | 87 | 37.2 Ų | 37.2 | 47% | 0.465 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -79.7 | -43.4 | -177.9 | -64.7 | -36.8 | 0 | 0 | 0 | 112.3 | L411 R412 W416 Q417 L418 R528 | L411-D414 PolarHBondContact O-N 3.34Å; L411-D414 VanDerWaalsContact O-N 3.09Å; R412-D414 VanDerWaalsContact C-N 3.31Å; R412-D414 PolarHBondContact O-N 2.98Å; D414-W416 PolarHBondContact O-N 3Å; D414-Q417 PolarHBondContact O-N 2.85Å; D414-L418 WeakPolarHBondContact O-CG 3.44Å; D414-L418 PolarHBondContact O-N 3.01Å; D414-L418 VanDerWaalsContact O-N 3.07Å; D414-R528 IonicContact OD1-NH1 3.59Å |
| 415 | V | 94.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66 | -39.4 | -177.9 | -177 | 0 | 0 | 0 | 0 | 111.6 | W381 L385 I407 L411 R412 Q417 L418 L419 | W381-V415 HydrophobicContact CZ3-CG1 4.17Å; W381-V415 HydrophobicContact CZ3-CG2 4.31Å; L385-V415 HydrophobicContact CD1-CG2 4.11Å; L385-V415 HydrophobicContact CD2-CG2 3.96Å; I407-V415 HydrophobicContact CD1-CB 4.22Å; I407-V415 HydrophobicContact CD1-CG1 3.69Å; I407-V415 HydrophobicContact CG2-CB 4.22Å; I407-V415 HydrophobicContact CG2-CG2 4.2Å; L411-V415 HydrophobicContact CB-CG2 4.13Å; L411-V415 WeakPolarHBondContact O-CG2 3.36Å; L411-V415 PolarHBondContact O-N 2.96Å; R412-V415 PolarHBondContact O-N 3.33Å; V415-Q417 VanDerWaalsContact C-N 3.34Å; V415-Q417 PolarHBondContact O-N 2.94Å; V415-L418 PolarHBondContact O-N 3.45Å; V415-L419 HydrophobicContact CG1-CD1 3.9Å; V415-L419 HydrophobicContact CG1-CG 4.16Å; V415-L419 WeakPolarHBondContact O-CB 3.25Å; V415-L419 WeakPolarHBondContact O-CG 3.28Å; V415-L419 PolarHBondContact O-N 2.87Å |
| 416 | W | 96.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.2 | -39.7 | 176.2 | -70.8 | -3.4 | 0 | 0 | 0 | 112.2 | R412 D414 L419 A420 L520 H523 M524 F604 I607 D608 L611 | R412-W416 HydrophobicContact CB-CD2 4.17Å; R412-W416 HydrophobicContact CB-CZ2 4.22Å; R412-W416 HydrophobicContact CG-CZ2 4.13Å; R412-W416 WeakPolarHBondContact O-CB 3.31Å; R412-W416 PolarHBondContact O-N 3.39Å; D414-W416 PolarHBondContact O-N 3Å; W416-L419 PolarHBondContact O-N 3.41Å; W416-A420 WeakPolarHBondContact O-CB 3.36Å; W416-A420 PolarHBondContact O-N 3Å; W416-L520 HydrophobicContact CE3-CD2 3.69Å; W416-L520 HydrophobicContact CZ3-CD2 3.9Å; W416-H523 HydrophobicContact CE3-CB 4.43Å; W416-H523 AromaticContact CH2-CE1 3.84Å; W416-H523 AromaticContact CH2-ND1 3.59Å; W416-H523 HydrophobicContact CZ3-CB 4.13Å; W416-H523 AromaticContact CZ3-CG 3.99Å; W416-H523 AromaticContact CZ3-ND1 3.53Å; W416-M524 HydrophobicContact CB-CE 4.2Å; W416-M524 HydrophobicContact CE3-CE 3.83Å; W416-F604 HydrophobicContact CH2-CB 4.49Å; W416-F604 HydrophobicContact CH2-CD1 4.03Å; W416-F604 HydrophobicContact CH2-CG 4.47Å; W416-F604 HydrophobicContact CZ2-CB 4.33Å; W416-I607 HydrophobicContact CD2-CG2 3.9Å; W416-I607 HydrophobicContact CE3-CG2 4.21Å; W416-I607 HydrophobicContact CH2-CB 4.16Å; W416-I607 HydrophobicContact CH2-CD1 4.02Å; W416-I607 HydrophobicContact CH2-CG2 3.91Å; W416-I607 HydrophobicContact CZ2-CB 3.74Å; W416-I607 HydrophobicContact CZ2-CD1 4.47Å; W416-I607 HydrophobicContact CZ2-CG2 3.55Å; W416-I607 HydrophobicContact CZ3-CG2 4.23Å; W416-D608 PolarHBondContact NE1-OD1 3.49Å; W416-L611 HydrophobicContact CB-CD1 3.57Å; W416-L611 HydrophobicContact CD2-CD1 4.23Å; W416-L611 HydrophobicContact CG-CD1 3.55Å |
| 417 | Q | 94.5 | Very high | 90.4 | Very high | 33 Ų | 33 | 42 Ų | 42 | 15% | 0.154 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.2 | -40 | 175.5 | -72.3 | 173.9 | 82.8 | 0 | 0 | 112 | G413 D414 V415 G421 C422 M524 R528 V532 | G413-Q417 VanDerWaalsContact O-CG 3.32Å; G413-Q417 WeakPolarHBondContact O-CG 3.29Å; G413-Q417 PolarHBondContact O-NE2 2.78Å; D414-Q417 PolarHBondContact O-N 2.85Å; V415-Q417 VanDerWaalsContact C-N 3.34Å; V415-Q417 PolarHBondContact O-N 2.94Å; Q417-G421 PolarHBondContact O-N 3.15Å; Q417-C422 HydrophobicContact CB-CB 4.25Å; Q417-C422 PolarHBondContact O-N 3.19Å; Q417-M524 HydrophobicContact CG-SD 4.17Å; Q417-R528 VanDerWaalsContact OE1-CD 3.28Å; Q417-V532 HydrophobicContact CG-CG2 3.82Å |
| 418 | L | 93.8 | Very high | 89.8 | Confident | 51 Ų | 51 | 42.9 Ų | 42.9 | 27% | 0.267 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -66.1 | -47.3 | 175.5 | -68.4 | 175.2 | 0 | 0 | 0 | 111.4 | L385 W388 L392 D414 V415 A420 G421 | L385-L418 HydrophobicContact CD2-CD1 4.18Å; W388-L418 HydrophobicContact CE3-CB 4.26Å; W388-L418 HydrophobicContact CE3-CD1 4.12Å; W388-L418 HydrophobicContact CH2-CB 3.6Å; W388-L418 HydrophobicContact CZ2-CB 4.37Å; W388-L418 HydrophobicContact CZ3-CB 3.53Å; W388-L418 HydrophobicContact CZ3-CD1 4.12Å; W388-L418 HydrophobicContact CZ3-CG 4.47Å; L392-L418 HydrophobicContact CD2-CD2 4.11Å; D414-L418 WeakPolarHBondContact O-CG 3.44Å; D414-L418 PolarHBondContact O-N 3.01Å; D414-L418 VanDerWaalsContact O-N 3.07Å; V415-L418 PolarHBondContact O-N 3.45Å; L418-A420 VanDerWaalsContact C-N 3.31Å; L418-A420 PolarHBondContact O-N 3.13Å; L418-G421 PolarHBondContact O-N 3.29Å |
| 419 | L | 94.6 | Very high | 89 | Confident | 4 Ų | 4 | 43.9 Ų | 43.9 | 2% | 0.021 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.8 | -37.7 | 177.8 | -71.7 | 171.7 | 0 | 0 | 0 | 112.1 | W388 R395 I403 I407 V415 W416 G421 Y540 L611 | W388-L419 HydrophobicContact CH2-CD2 3.74Å; W388-L419 HydrophobicContact CH2-CG 4.06Å; W388-L419 HydrophobicContact CZ3-CD2 4.26Å; W388-L419 HydrophobicContact CZ3-CG 4.41Å; R395-L419 PolarHBondContact NH2-O 3.17Å; I403-L419 HydrophobicContact CD1-CD1 3.98Å; I403-L419 HydrophobicContact CD1-CD2 3.99Å; I407-L419 HydrophobicContact CD1-CD1 4.32Å; V415-L419 HydrophobicContact CG1-CD1 3.9Å; V415-L419 HydrophobicContact CG1-CG 4.16Å; V415-L419 WeakPolarHBondContact O-CB 3.25Å; V415-L419 WeakPolarHBondContact O-CG 3.28Å; V415-L419 PolarHBondContact O-N 2.87Å; W416-L419 PolarHBondContact O-N 3.41Å; L419-G421 PolarHBondContact O-N 3.33Å; L419-Y540 PolarHBondContact O-OH 3.13Å; L419-L611 HydrophobicContact CB-CB 3.8Å; L419-L611 HydrophobicContact CD1-CB 3.99Å |
| 420 | A | 93.6 | Very high | 88.5 | Confident | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.008 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -72.1 | -13.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | W416 L418 V532 R535 L611 | W416-A420 WeakPolarHBondContact O-CB 3.36Å; W416-A420 PolarHBondContact O-N 3Å; L418-A420 VanDerWaalsContact C-N 3.31Å; L418-A420 PolarHBondContact O-N 3.13Å; A420-V532 HydrophobicContact CB-CG1 4.17Å; A420-V532 HydrophobicContact CB-CG2 4.42Å; A420-R535 HydrophobicContact CB-CB 4.11Å; A420-R535 PolarHBondContact O-NE 2.91Å; A420-R535 PolarHBondContact O-NH2 3.44Å; A420-R535 VanDerWaalsContact O-NH2 3.13Å; A420-L611 HydrophobicContact CB-CD2 4.39Å |
| 421 | G | 92.1 | Very high | 88.2 | Confident | 4 Ų | 4 | 46.9 Ų | 46.9 | 4% | 0.041 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.6 | 33.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q417 L418 L419 H423 E424 | Q417-G421 PolarHBondContact O-N 3.15Å; L418-G421 PolarHBondContact O-N 3.29Å; L419-G421 PolarHBondContact O-N 3.33Å; G421-H423 PolarHBondContact O-N 2.76Å; G421-E424 VanDerWaalsContact O-CB 3.31Å; G421-E424 WeakPolarHBondContact O-CB 3.44Å; G421-E424 WeakPolarHBondContact O-CG 3.34Å; G421-E424 PolarHBondContact O-N 2.8Å |
| 422 | C | 88.9 | Confident | 87.7 | Confident | 14 Ų | 14 | 45.5 Ų | 45.5 | 10% | 0.095 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -61.8 | -27.8 | -178.1 | -68.1 | 0 | 0 | 0 | 0 | 113.1 | Q417 E424 V425 T531 V532 | Q417-C422 HydrophobicContact CB-CB 4.25Å; Q417-C422 PolarHBondContact O-N 3.19Å; C422-E424 PolarHBondContact O-N 2.99Å; C422-V425 PolarHBondContact O-N 2.79Å; C422-V425 VanDerWaalsContact O-N 3.15Å; C422-T531 HydrophobicContact CB-CG2 3.94Å; C422-V532 VanDerWaalsContact SG-CG2 3.55Å |
| 423 | H | 87.4 | Confident | 87.2 | Confident | 82 Ų | 82 | 51.5 Ų | 51.5 | 38% | 0.38 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -64.3 | -21.2 | 175.7 | 60.7 | -87.9 | 0 | 0 | 0 | 113.3 | G421 V425 | G421-H423 PolarHBondContact O-N 2.76Å; H423-V425 VanDerWaalsContact C-N 3.32Å |
| 424 | E | 86.3 | Confident | 86.6 | Confident | 118 Ų | 118 | 54 Ų | 54 | 55% | 0.551 | 28% | 0.276 | S | S | * | . | G | 310 helix | trans | -76.4 | -19.6 | 176.3 | -55.8 | 169.5 | 176.1 | 0 | 0 | 112.4 | G421 C422 P426 R535 | G421-E424 VanDerWaalsContact O-CB 3.31Å; G421-E424 WeakPolarHBondContact O-CB 3.44Å; G421-E424 WeakPolarHBondContact O-CG 3.34Å; G421-E424 PolarHBondContact O-N 2.8Å; C422-E424 PolarHBondContact O-N 2.99Å; E424-P426 VanDerWaalsContact C-CD 3.42Å; E424-R535 IonicContact OE2-CZ 2.69Å; E424-R535 IonicContact OE2-NH1 3.95Å; E424-R535 IonicContact OE2-NH2 2.71Å; E424-R535 PolarHBondContact OE2-NH2 2.97Å |
| 425 | V | 84.4 | Confident | 86.1 | Confident | 42 Ų | 42 | 50.2 Ų | 50.2 | 26% | 0.255 | 26% | 0.256 | S | S | . | . | trans | -128.3 | 54 | -172.2 | -67.1 | 0 | 0 | 0 | 0 | 113.5 | C422 H423 Q427 L428 T531 R535 | C422-V425 PolarHBondContact O-N 2.79Å; C422-V425 VanDerWaalsContact O-N 3.15Å; H423-V425 VanDerWaalsContact C-N 3.32Å; V425-Q427 PolarHBondContact O-N 2.96Å; V425-L428 HydrophobicContact CB-CB 4.49Å; V425-L428 HydrophobicContact CG2-CB 4.47Å; V425-L428 HydrophobicContact CG2-CD2 4.41Å; V425-L428 WeakPolarHBondContact O-CB 3.31Å; V425-L428 PolarHBondContact O-N 2.83Å; V425-T531 HydrophobicContact CG2-CG2 4.38Å; V425-R535 HydrophobicContact CG2-CG 4.43Å | ||
| 426 | P | 82.4 | Confident | 85.5 | Confident | 84 Ų | 84 | 51.8 Ų | 51.8 | 55% | 0.545 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.8 | -20 | -175.2 | 27.4 | -36.2 | 0 | 0 | 0 | 113.9 | E424 L428 | E424-P426 VanDerWaalsContact C-CD 3.42Å; P426-L428 PolarHBondContact O-N 3.32Å |
| 427 | Q | 81.3 | Confident | 84.7 | Confident | 164 Ų | 164 | 59.7 Ų | 59.7 | 77% | 0.766 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -66.8 | -25.1 | 177.2 | -61.4 | 174.9 | 9.9 | 0 | 0 | 112.6 | V425 K430 S431 | V425-Q427 PolarHBondContact O-N 2.96Å; Q427-K430 PolarHBondContact O-N 2.97Å; Q427-S431 PolarHBondContact O-N 2.86Å |
| 428 | L | 79.4 | Confident | 83.9 | Confident | 21 Ų | 21 | 62.5 Ų | 62.5 | 11% | 0.11 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -68.9 | -45.4 | -174.3 | -174.5 | 59.4 | 0 | 0 | 0 | 112.1 | V425 P426 K430 S431 Y432 L481 F530 T531 V534 | V425-L428 HydrophobicContact CB-CB 4.49Å; V425-L428 HydrophobicContact CG2-CB 4.47Å; V425-L428 HydrophobicContact CG2-CD2 4.41Å; V425-L428 WeakPolarHBondContact O-CB 3.31Å; V425-L428 PolarHBondContact O-N 2.83Å; P426-L428 PolarHBondContact O-N 3.32Å; L428-K430 VanDerWaalsContact C-N 3.31Å; L428-K430 PolarHBondContact O-N 2.87Å; L428-S431 PolarHBondContact O-N 2.89Å; L428-S431 PolarHBondContact O-OG 2.95Å; L428-Y432 PolarHBondContact O-N 2.76Å; L428-L481 HydrophobicContact CD1-CD1 4.15Å; L428-L481 HydrophobicContact CD1-CD2 3.44Å; L428-L481 VanDerWaalsContact CD1-CD2 3.44Å; L428-L481 HydrophobicContact CD1-CG 4.44Å; L428-F530 HydrophobicContact CD1-CE1 3.73Å; L428-F530 HydrophobicContact CD1-CZ 4.17Å; L428-F530 HydrophobicContact CG-CD1 4.45Å; L428-F530 HydrophobicContact CG-CE1 3.9Å; L428-T531 HydrophobicContact CB-CG2 4.39Å; L428-T531 HydrophobicContact CD2-CG2 3.88Å; L428-T531 HydrophobicContact CG-CG2 4.35Å; L428-V534 HydrophobicContact CD1-CG1 4.26Å; L428-V534 HydrophobicContact CD1-CG2 4.46Å; L428-V534 HydrophobicContact CD2-CB 3.69Å; L428-V534 HydrophobicContact CD2-CG1 3.61Å; L428-V534 HydrophobicContact CD2-CG2 4.17Å |
| 429 | S | 73.8 | Confident | 83 | Confident | 36 Ų | 36 | 67.1 Ų | 67.1 | 25% | 0.252 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.9 | -39.8 | 173.9 | 154.4 | 0 | 0 | 0 | 0 | 111.4 | S431 Y432 E527 | S429-S431 VanDerWaalsContact C-N 3.32Å; S429-S431 PolarHBondContact O-N 2.73Å; S429-Y432 WeakPolarHBondContact O-CB 3.33Å; S429-Y432 PolarHBondContact O-N 2.93Å; S429-E527 PolarHBondContact OG-OE2 2.94Å |
| 430 | K | 76.9 | Confident | 82.1 | Confident | 171 Ų | 171 | 67.5 Ų | 67.5 | 74% | 0.743 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -64.4 | -35.1 | 175.4 | -65.1 | -176.1 | 179.4 | -177 | 0 | 113.2 | Q427 L428 Y432 | Q427-K430 PolarHBondContact O-N 2.97Å; L428-K430 VanDerWaalsContact C-N 3.31Å; L428-K430 PolarHBondContact O-N 2.87Å; K430-Y432 PolarHBondContact O-N 2.81Å |
| 431 | S | 79.5 | Confident | 81.1 | Confident | 30 Ų | 30 | 72 Ų | 72 | 21% | 0.21 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -71.3 | -19 | 179 | 72.7 | 0 | 0 | 0 | 0 | 113.2 | Q427 L428 S429 Y433 S434 L435 | Q427-S431 PolarHBondContact O-N 2.86Å; L428-S431 PolarHBondContact O-N 2.89Å; L428-S431 PolarHBondContact O-OG 2.95Å; S429-S431 VanDerWaalsContact C-N 3.32Å; S429-S431 PolarHBondContact O-N 2.73Å; S431-Y433 PolarHBondContact O-N 3.04Å; S431-S434 PolarHBondContact O-N 3.38Å; S431-S434 PolarHBondContact O-OG 2.82Å; S431-L435 VanDerWaalsContact O-CG 3.29Å; S431-L435 WeakPolarHBondContact O-CG 3.42Å; S431-L435 PolarHBondContact O-N 2.8Å; S431-L435 VanDerWaalsContact O-N 3.09Å |
| 432 | Y | 82.6 | Confident | 80.2 | Confident | 1 Ų | 1 | 74.6 Ų | 74.6 | 0% | 0.004 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -51.6 | -55.7 | -174.8 | -175.8 | -110.9 | 0 | 0 | 0 | 113 | L428 S429 K430 S434 L435 L436 K473 I474 A477 E526 E527 F530 | L428-Y432 PolarHBondContact O-N 2.76Å; S429-Y432 WeakPolarHBondContact O-CB 3.33Å; S429-Y432 PolarHBondContact O-N 2.93Å; K430-Y432 PolarHBondContact O-N 2.81Å; Y432-S434 VanDerWaalsContact C-N 3.34Å; Y432-S434 PolarHBondContact O-N 2.94Å; Y432-L435 WeakPolarHBondContact O-CB 3.43Å; Y432-L435 PolarHBondContact O-N 3.01Å; Y432-L436 HydrophobicContact CD1-CD1 4.3Å; Y432-L436 HydrophobicContact CE1-CD1 3.77Å; Y432-L436 HydrophobicContact CE1-CG 4.42Å; Y432-L436 PolarHBondContact O-N 2.84Å; Y432-K473 VanDerWaalsContact OH-CB 3.24Å; Y432-K473 WeakPolarHBondContact OH-CB 3.35Å; Y432-K473 PolarHBondContact OH-O 3.05Å; Y432-I474 PolarHBondContact OH-N 3.08Å; Y432-I474 VanDerWaalsContact OH-N 3.11Å; Y432-A477 HydrophobicContact CD2-CB 3.67Å; Y432-A477 HydrophobicContact CE2-CB 3.39Å; Y432-E526 HydrophobicContact CE1-CG 4.07Å; Y432-E526 VanDerWaalsContact CE1-OE1 3.26Å; Y432-E526 WeakPolarHBondContact CE1-OE1 3.24Å; Y432-E526 VanDerWaalsContact OH-CD 3.32Å; Y432-E526 VanDerWaalsContact OH-CG 3.26Å; Y432-E526 WeakPolarHBondContact OH-CG 3.28Å; Y432-E526 PolarHBondContact OH-OE1 3.07Å; Y432-E527 HydrophobicContact CD1-CG 3.91Å; Y432-E527 HydrophobicContact CE1-CG 4.43Å; Y432-F530 HydrophobicContact CD2-CB 3.75Å; Y432-F530 AromaticContact CD2-CD1 3.44Å; Y432-F530 HydrophobicContact CD2-CD1 3.44Å; Y432-F530 VanDerWaalsContact CD2-CD1 3.44Å; Y432-F530 AromaticContact CD2-CD2 3.83Å; Y432-F530 HydrophobicContact CD2-CD2 3.83Å; Y432-F530 AromaticContact CD2-CE1 3.89Å; Y432-F530 HydrophobicContact CD2-CE1 3.89Å; Y432-F530 HydrophobicContact CD2-CE2 4.24Å; Y432-F530 AromaticContact CD2-CG 3.38Å; Y432-F530 HydrophobicContact CD2-CG 3.38Å; Y432-F530 HydrophobicContact CD2-CZ 4.25Å; Y432-F530 HydrophobicContact CE2-CB 3.67Å; Y432-F530 HydrophobicContact CE2-CD1 4.19Å; Y432-F530 AromaticContact CE2-CD2 3.87Å; Y432-F530 HydrophobicContact CE2-CD2 3.87Å; Y432-F530 AromaticContact CE2-CG 3.65Å; Y432-F530 HydrophobicContact CE2-CG 3.65Å; Y432-F530 HydrophobicContact CG-CD1 4.23Å; Y432-F530 HydrophobicContact CG-CG 4.49Å |
| 433 | Y | 83.5 | Confident | 79.8 | Confident | 132 Ų | 132 | 77.6 Ų | 77.6 | 52% | 0.518 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -60.6 | -41.4 | -179.6 | -67.5 | -72.8 | 0 | 0 | 0 | 112.7 | S431 L435 L436 E527 | S431-Y433 PolarHBondContact O-N 3.04Å; Y433-L435 PolarHBondContact O-N 2.78Å; Y433-L436 PolarHBondContact O-N 3.47Å; Y433-L436 VanDerWaalsContact O-N 3.16Å; Y433-E527 HydrophobicContact CE2-CG 4.1Å; Y433-E527 VanDerWaalsContact CE2-OE1 3.23Å; Y433-E527 WeakPolarHBondContact CE2-OE1 3.33Å; Y433-E527 PolarHBondContact OH-OE1 2.82Å |
| 434 | S | 80.3 | Confident | 79.4 | Confident | 60 Ų | 60 | 80.8 Ų | 80.8 | 42% | 0.42 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -66.7 | -20.2 | 176.9 | 72.4 | 0 | 0 | 0 | 0 | 114 | S431 Y432 | S431-S434 PolarHBondContact O-N 3.38Å; S431-S434 PolarHBondContact O-OG 2.82Å; Y432-S434 VanDerWaalsContact C-N 3.34Å; Y432-S434 PolarHBondContact O-N 2.94Å |
| 435 | L | 81.6 | Confident | 79.1 | Confident | 6 Ų | 6 | 77.4 Ų | 77.4 | 3% | 0.031 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -83.4 | -25.4 | 176.4 | -66.6 | 163.8 | 0 | 0 | 0 | 111.9 | S431 Y432 Y433 E437 A477 H480 L481 F530 | S431-L435 VanDerWaalsContact O-CG 3.29Å; S431-L435 WeakPolarHBondContact O-CG 3.42Å; S431-L435 PolarHBondContact O-N 2.8Å; S431-L435 VanDerWaalsContact O-N 3.09Å; Y432-L435 WeakPolarHBondContact O-CB 3.43Å; Y432-L435 PolarHBondContact O-N 3.01Å; Y433-L435 PolarHBondContact O-N 2.78Å; L435-E437 VanDerWaalsContact C-N 3.33Å; L435-A477 HydrophobicContact CB-CB 4.1Å; L435-H480 HydrophobicContact CB-CB 4.27Å; L435-H480 HydrophobicContact CD2-CB 3.73Å; L435-H480 PolarHBondContact O-CD2 2.74Å; L435-H480 VanDerWaalsContact O-CD2 3.27Å; L435-L481 HydrophobicContact CD1-CB 3.93Å; L435-L481 HydrophobicContact CD1-CD1 4.09Å; L435-F530 HydrophobicContact CD1-CE1 4.38Å; L435-F530 HydrophobicContact CD1-CE2 4.47Å; L435-F530 HydrophobicContact CD1-CZ 3.68Å |
| 436 | L | 83 | Confident | 79 | Confident | 33 Ų | 33 | 75.4 Ų | 75.4 | 17% | 0.173 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -71.9 | -27.7 | 179.9 | -66 | 179.2 | 0 | 0 | 0 | 113.1 | Y432 Y433 K438 K473 K476 A477 | Y432-L436 HydrophobicContact CD1-CD1 4.3Å; Y432-L436 HydrophobicContact CE1-CD1 3.77Å; Y432-L436 HydrophobicContact CE1-CG 4.42Å; Y432-L436 PolarHBondContact O-N 2.84Å; Y433-L436 PolarHBondContact O-N 3.47Å; Y433-L436 VanDerWaalsContact O-N 3.16Å; L436-K438 PolarHBondContact O-N 3.24Å; L436-K473 HydrophobicContact CD1-CB 4.31Å; L436-K473 HydrophobicContact CD1-CD 4.38Å; L436-K473 HydrophobicContact CD1-CG 4.36Å; L436-K473 HydrophobicContact CD2-CB 3.76Å; L436-K473 HydrophobicContact CD2-CG 4.22Å; L436-K473 WeakPolarHBondContact CD2-O 3.16Å; L436-K476 PolarHBondContact O-NZ 2.9Å; L436-A477 HydrophobicContact CD2-CB 3.98Å |
| 437 | E | 79.8 | Confident | 79.2 | Confident | 167 Ų | 167 | 74 Ų | 74 | 78% | 0.78 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -11.5 | 178.8 | -65.7 | 176.7 | 176.4 | 0 | 0 | 113.6 | L435 | L435-E437 VanDerWaalsContact C-N 3.33Š|
| 438 | K | 77.2 | Confident | 79.3 | Confident | 91 Ų | 91 | 72.4 Ų | 72.4 | 40% | 0.396 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -89.1 | 152.6 | -177.6 | -61 | 179.9 | -177.7 | 179.8 | 0 | 111.7 | L436 K476 H480 | L436-K438 PolarHBondContact O-N 3.24Å; K438-K476 WeakPolarHBondContact O-CE 3.41Å; K438-K476 PolarHBondContact O-NZ 3.43Å; K438-H480 WeakPolarHBondContact CB-CE1 3.13Å; K438-H480 WeakPolarHBondContact CB-NE2 3.13Å; K438-H480 PolarHBondContact O-NE2 2.73Å |
| 439 | D | 75.4 | Confident | 79.5 | Confident | 149 Ų | 149 | 71.4 Ų | 71.4 | 80% | 0.797 | 36% | 0.355 | S | S | * | . | trans | -81.8 | 130.4 | 178.8 | -66.7 | -34.7 | 0 | 0 | 0 | 112.7 | H480 | D439-H480 PolarHBondContact O-CE1 3Š| ||
| 440 | C | 74.5 | Confident | 80.1 | Confident | 12 Ų | 12 | 69.9 Ų | 69.9 | 8% | 0.081 | 34% | 0.344 | C | S | . | . | trans | -106.5 | 113.4 | -176.5 | -176 | 0 | 0 | 0 | 0 | 111.6 | N442 E443 K476 Y479 | C440-N442 PolarHBondContact O-N 2.89Å; C440-E443 PolarHBondContact O-N 2.93Å; C440-K476 HydrophobicContact CB-CG 3.91Å; C440-Y479 VanDerWaalsContact SG-CD1 3.58Å | ||
| 441 | P | 72.8 | Confident | 80.4 | Confident | 96 Ų | 96 | 66.9 Ų | 66.9 | 62% | 0.623 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -20.9 | -179.9 | 27 | -35.1 | 0 | 0 | 0 | 113.7 | E443 Y479 | P441-E443 VanDerWaalsContact C-N 3.35Å; P441-E443 PolarHBondContact O-N 2.94Å; P441-Y479 HydrophobicContact CG-CE1 4.01Å; P441-Y479 WeakPolarHBondContact CG-OH 3.33Å |
| 442 | N | 72.3 | Confident | 80.7 | Confident | 58 Ų | 58 | 69.8 Ų | 69.8 | 31% | 0.31 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | 21.2 | -177.5 | -73.6 | 3.1 | 0 | 0 | 0 | 113.7 | C440 Q444 V445 I446 Y479 | C440-N442 PolarHBondContact O-N 2.89Å; N442-Q444 VanDerWaalsContact C-N 3.32Å; N442-Q444 PolarHBondContact O-N 2.7Å; N442-V445 WeakPolarHBondContact O-CB 3.38Å; N442-V445 PolarHBondContact O-N 3.47Å; N442-V445 VanDerWaalsContact O-N 3.08Å; N442-I446 PolarHBondContact O-N 3.14Å; N442-I446 VanDerWaalsContact O-N 3.11Å; N442-Y479 HydrophobicContact CB-CD2 4.28Å; N442-Y479 HydrophobicContact CB-CE2 4.09Å |
| 443 | E | 80.8 | Confident | 80.9 | Confident | 76 Ų | 76 | 69.8 Ų | 69.8 | 36% | 0.355 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -55.7 | -42.8 | -174.4 | -164.5 | 175.5 | 173.3 | 0 | 0 | 113.4 | C440 P441 V445 I446 L447 Y472 | C440-E443 PolarHBondContact O-N 2.93Å; P441-E443 VanDerWaalsContact C-N 3.35Å; P441-E443 PolarHBondContact O-N 2.94Å; E443-V445 VanDerWaalsContact C-N 3.31Å; E443-V445 PolarHBondContact O-N 3.45Å; E443-I446 WeakPolarHBondContact O-CB 3.47Å; E443-I446 PolarHBondContact O-N 2.88Å; E443-L447 HydrophobicContact CG-CD1 4.25Å; E443-L447 WeakPolarHBondContact O-CG 3.25Å; E443-L447 PolarHBondContact O-N 2.75Å; E443-Y472 HydrophobicContact CG-CE2 3.65Å; E443-Y472 WeakPolarHBondContact CG-OH 3.35Å; E443-Y472 PolarHBondContact OE1-OH 3.07Å |
| 444 | Q | 79.7 | Confident | 81.2 | Confident | 150 Ų | 150 | 63.5 Ų | 63.5 | 70% | 0.701 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -63.8 | -35.7 | 179.1 | -64 | -61.2 | -24 | 0 | 0 | 112.8 | N442 R448 | N442-Q444 VanDerWaalsContact C-N 3.32Å; N442-Q444 PolarHBondContact O-N 2.7Å; Q444-R448 WeakPolarHBondContact O-CB 3.43Å; Q444-R448 PolarHBondContact O-N 3.24Å; Q444-R448 VanDerWaalsContact O-N 3.11Å |
| 445 | V | 79.2 | Confident | 81.4 | Confident | 46 Ų | 46 | 63 Ų | 63 | 28% | 0.279 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -68.8 | -41.5 | 176.8 | -179.9 | 0 | 0 | 0 | 0 | 110.2 | N442 E443 D449 Y509 | N442-V445 WeakPolarHBondContact O-CB 3.38Å; N442-V445 PolarHBondContact O-N 3.47Å; N442-V445 VanDerWaalsContact O-N 3.08Å; E443-V445 VanDerWaalsContact C-N 3.31Å; E443-V445 PolarHBondContact O-N 3.45Å; V445-D449 PolarHBondContact O-N 3Å; V445-D449 VanDerWaalsContact O-N 3.16Å; V445-Y509 HydrophobicContact CG1-CD1 4.06Å; V445-Y509 HydrophobicContact CG1-CE1 4.27Å |
| 446 | I | 83.7 | Confident | 81.4 | Confident | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.005 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.1 | -51.2 | 176.3 | -67.6 | 169.7 | 0 | 0 | 0 | 110.4 | N442 E443 R448 D449 I450 Y472 Y509 | N442-I446 PolarHBondContact O-N 3.14Å; N442-I446 VanDerWaalsContact O-N 3.11Å; E443-I446 WeakPolarHBondContact O-CB 3.47Å; E443-I446 PolarHBondContact O-N 2.88Å; I446-R448 VanDerWaalsContact C-N 3.34Å; I446-R448 PolarHBondContact O-N 2.94Å; I446-D449 PolarHBondContact O-N 3.06Å; I446-D449 VanDerWaalsContact O-N 3.1Å; I446-I450 HydrophobicContact CG2-CD1 3.64Å; I446-I450 HydrophobicContact CG2-CG1 4.34Å; I446-I450 WeakPolarHBondContact O-CG1 3.38Å; I446-I450 PolarHBondContact O-N 2.99Å; I446-Y472 HydrophobicContact CG2-CD2 4.1Å; I446-Y509 HydrophobicContact CD1-CD2 4.42Å; I446-Y509 HydrophobicContact CD1-CG 4.34Å; I446-Y509 HydrophobicContact CG1-CD1 3.84Å; I446-Y509 HydrophobicContact CG1-CD2 3.86Å; I446-Y509 HydrophobicContact CG1-CE1 4.24Å; I446-Y509 HydrophobicContact CG1-CE2 4.24Å; I446-Y509 HydrophobicContact CG1-CG 3.66Å |
| 447 | L | 85.4 | Confident | 81.6 | Confident | 53 Ų | 53 | 65.6 Ų | 65.6 | 28% | 0.277 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -59.4 | -42.7 | -179.3 | -72.2 | 171.7 | 0 | 0 | 0 | 112.3 | E443 D449 I450 H451 Y472 | E443-L447 HydrophobicContact CG-CD1 4.25Å; E443-L447 WeakPolarHBondContact O-CG 3.25Å; E443-L447 PolarHBondContact O-N 2.75Å; L447-D449 VanDerWaalsContact C-N 3.3Å; L447-D449 PolarHBondContact O-N 2.78Å; L447-I450 PolarHBondContact O-N 2.98Å; L447-H451 PolarHBondContact O-N 2.84Å; L447-H451 VanDerWaalsContact O-N 3.11Å; L447-H451 PolarHBondContact O-ND1 2.92Å; L447-Y472 HydrophobicContact CD2-CD2 3.72Å; L447-Y472 HydrophobicContact CD2-CE2 3.98Å; L447-Y472 HydrophobicContact CG-CD2 4.3Å; L447-Y472 HydrophobicContact CG-CE2 4.23Å |
| 448 | R | 83.4 | Confident | 81.8 | Confident | 132 Ų | 132 | 63.3 Ų | 63.3 | 50% | 0.498 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.5 | -40.1 | 175.6 | -176.1 | -176.8 | 64.7 | -161.7 | -1.5 | 112.2 | Q444 I446 | Q444-R448 WeakPolarHBondContact O-CB 3.43Å; Q444-R448 PolarHBondContact O-N 3.24Å; Q444-R448 VanDerWaalsContact O-N 3.11Å; I446-R448 VanDerWaalsContact C-N 3.34Å; I446-R448 PolarHBondContact O-N 2.94Å |
| 449 | D | 82.9 | Confident | 82.3 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -70.2 | -39.4 | 178.2 | -88.6 | 25.2 | 0 | 0 | 0 | 111.9 | V445 I446 L447 R452 T453 Y509 Q511 G512 | V445-D449 PolarHBondContact O-N 3Å; V445-D449 VanDerWaalsContact O-N 3.16Å; I446-D449 PolarHBondContact O-N 3.06Å; I446-D449 VanDerWaalsContact O-N 3.1Å; L447-D449 VanDerWaalsContact C-N 3.3Å; L447-D449 PolarHBondContact O-N 2.78Å; D449-R452 WeakPolarHBondContact O-CG 3.48Å; D449-R452 PolarHBondContact O-N 3.23Å; D449-R452 IonicContact OD1-CZ 3.33Å; D449-R452 IonicContact OD1-NE 3.5Å; D449-R452 PolarHBondContact OD1-NE 2.97Å; D449-R452 IonicContact OD1-NH1 3.92Å; D449-R452 IonicContact OD1-NH2 2.7Å; D449-R452 PolarHBondContact OD1-NH2 3.34Å; D449-R452 IonicContact OD2-NH2 3.45Å; D449-R452 PolarHBondContact OD2-NH2 2.83Å; D449-T453 WeakPolarHBondContact O-CB 3.38Å; D449-T453 PolarHBondContact O-N 3.36Å; D449-T453 VanDerWaalsContact O-N 3.13Å; D449-T453 PolarHBondContact O-OG1 3.03Å; D449-Y509 HydrophobicContact CB-CE1 4.11Å; D449-Y509 WeakPolarHBondContact CB-OH 3.35Å; D449-Y509 WeakPolarHBondContact OD2-CE1 3.46Å; D449-Y509 PolarHBondContact OD2-OH 3.08Å; D449-Q511 WeakPolarHBondContact OD2-CA 3.46Å; D449-G512 PolarHBondContact OD2-N 3.34Å |
| 450 | I | 87 | Confident | 83 | Confident | 4 Ų | 4 | 56.6 Ų | 56.6 | 2% | 0.021 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.7 | -45.1 | 177.6 | -69.6 | 169.7 | 0 | 0 | 0 | 111.4 | I446 L447 R452 T453 Q468 L471 Y472 | I446-I450 HydrophobicContact CG2-CD1 3.64Å; I446-I450 HydrophobicContact CG2-CG1 4.34Å; I446-I450 WeakPolarHBondContact O-CG1 3.38Å; I446-I450 PolarHBondContact O-N 2.99Å; L447-I450 PolarHBondContact O-N 2.98Å; I450-R452 PolarHBondContact O-N 3.36Å; I450-R452 VanDerWaalsContact O-N 3.09Å; I450-T453 WeakPolarHBondContact O-CB 3.12Å; I450-T453 PolarHBondContact O-N 3.35Å; I450-Q468 HydrophobicContact CG2-CB 3.83Å; I450-Q468 HydrophobicContact CG2-CG 3.83Å; I450-L471 HydrophobicContact CD1-CB 4.25Å; I450-L471 HydrophobicContact CG1-CB 4.2Å; I450-Y472 HydrophobicContact CD1-CD2 4.24Å; I450-Y472 HydrophobicContact CD1-CG 4.42Å |
| 451 | H | 84.1 | Confident | 83.5 | Confident | 108 Ų | 108 | 62 Ų | 62 | 50% | 0.5 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -59 | -25.6 | 179.4 | -70.2 | 142.8 | 0 | 0 | 0 | 114.3 | L447 | L447-H451 PolarHBondContact O-N 2.84Å; L447-H451 VanDerWaalsContact O-N 3.11Å; L447-H451 PolarHBondContact O-ND1 2.92Å |
| 452 | R | 85.7 | Confident | 84 | Confident | 91 Ų | 91 | 64 Ų | 64 | 34% | 0.343 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | 2.7 | 176.6 | 67 | 177.9 | -169.3 | -165.1 | 0.6 | 113.6 | S364 D449 I450 F515 | S364-R452 PolarHBondContact OG-O 3.33Å; D449-R452 WeakPolarHBondContact O-CG 3.48Å; D449-R452 PolarHBondContact O-N 3.23Å; D449-R452 IonicContact OD1-CZ 3.33Å; D449-R452 IonicContact OD1-NE 3.5Å; D449-R452 PolarHBondContact OD1-NE 2.97Å; D449-R452 IonicContact OD1-NH1 3.92Å; D449-R452 IonicContact OD1-NH2 2.7Å; D449-R452 PolarHBondContact OD1-NH2 3.34Å; D449-R452 IonicContact OD2-NH2 3.45Å; D449-R452 PolarHBondContact OD2-NH2 2.83Å; I450-R452 PolarHBondContact O-N 3.36Å; I450-R452 VanDerWaalsContact O-N 3.09Å; R452-F515 HydrophobicContact CG-CZ 4.28Å; R452-F515 WeakPolarHBondContact O-CE1 3.35Å; R452-F515 WeakPolarHBondContact O-CZ 3.22Å |
| 453 | T | 87.4 | Confident | 84.5 | Confident | 1 Ų | 1 | 65.6 Ų | 65.6 | 1% | 0.006 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -90.4 | 111.1 | -179.6 | -61.9 | 0 | 0 | 0 | 0 | 110.1 | D449 I450 L471 S514 F515 A518 | D449-T453 WeakPolarHBondContact O-CB 3.38Å; D449-T453 PolarHBondContact O-N 3.36Å; D449-T453 VanDerWaalsContact O-N 3.13Å; D449-T453 PolarHBondContact O-OG1 3.03Å; I450-T453 WeakPolarHBondContact O-CB 3.12Å; I450-T453 PolarHBondContact O-N 3.35Å; T453-L471 HydrophobicContact CG2-CD1 4.04Å; T453-S514 VanDerWaalsContact OG1-CB 3.27Å; T453-S514 WeakPolarHBondContact OG1-CB 3.23Å; T453-S514 PolarHBondContact OG1-OG 3.49Å; T453-F515 HydrophobicContact CG2-CD1 3.94Å; T453-F515 HydrophobicContact CG2-CE1 4.38Å; T453-F515 HydrophobicContact CG2-CG 4.32Å; T453-A518 HydrophobicContact CG2-CB 3.58Å |
| 454 | F | 88.6 | Confident | 84.4 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 34% | 0.338 | C | S | . | . | S | Bend | trans | 52 | 46.1 | 178.2 | -59.5 | -14 | 0 | 0 | 0 | 114.8 | S364 A456 H457 F460 F515 A518 S519 L522 T595 L600 | S364-F454 WeakPolarHBondContact O-CA 3.26Å; S364-F454 PolarHBondContact OG-N 3.45Å; F454-A456 PolarHBondContact O-N 2.93Å; F454-A456 VanDerWaalsContact O-N 3.11Å; F454-H457 HydrophobicContact CB-CB 4.04Å; F454-H457 WeakPolarHBondContact O-CB 3.48Å; F454-H457 PolarHBondContact O-N 3.16Å; F454-F460 HydrophobicContact CB-CB 4.32Å; F454-F460 HydrophobicContact CB-CD2 3.67Å; F454-F460 HydrophobicContact CB-CE2 4.4Å; F454-F460 HydrophobicContact CB-CG 4.29Å; F454-F460 AromaticContact CD2-CD2 3.96Å; F454-F460 HydrophobicContact CD2-CD2 3.96Å; F454-F460 AromaticContact CD2-CE2 3.81Å; F454-F460 HydrophobicContact CD2-CE2 3.81Å; F454-F460 HydrophobicContact CG-CD2 4.34Å; F454-F515 HydrophobicContact CD1-CD1 4.01Å; F454-F515 AromaticContact CE1-CD1 3.87Å; F454-F515 HydrophobicContact CE1-CD1 3.87Å; F454-A518 HydrophobicContact CD2-CB 3.39Å; F454-A518 HydrophobicContact CE2-CB 3.42Å; F454-A518 VanDerWaalsContact CE2-CB 3.42Å; F454-A518 HydrophobicContact CG-CB 4.29Å; F454-A518 HydrophobicContact CZ-CB 4.35Å; F454-S519 WeakPolarHBondContact CZ-OG 3.3Å; F454-L522 HydrophobicContact CD2-CD1 4.42Å; F454-L522 HydrophobicContact CE2-CD1 4.4Å; F454-T595 WeakPolarHBondContact CE1-O 3.38Å; F454-L600 HydrophobicContact CD2-CD2 4.24Å; F454-L600 HydrophobicContact CE1-CD2 4.03Å; F454-L600 HydrophobicContact CE2-CD2 3.62Å; F454-L600 HydrophobicContact CZ-CD2 3.49Å; F454-L600 VanDerWaalsContact CZ-CD2 3.49Å |
| 455 | P | 85.3 | Confident | 84.7 | Confident | 48 Ų | 48 | 58.5 Ų | 58.5 | 31% | 0.312 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -20.4 | -176.3 | 30.7 | -36.1 | 0 | 0 | 0 | 112.8 | L363 S364 H457 | L363-P455 HydrophobicContact CD2-CG 4.43Å; S364-P455 VanDerWaalsContact OG-CD 3.25Å; S364-P455 WeakPolarHBondContact OG-CD 3.1Å; P455-H457 VanDerWaalsContact C-N 3.34Å |
| 456 | A | 81.7 | Confident | 85.1 | Confident | 49 Ų | 49 | 62.6 Ų | 62.6 | 41% | 0.405 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -5.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | L363 F454 | L363-A456 HydrophobicContact CB-CB 3.9Å; L363-A456 HydrophobicContact CD1-CB 4.28Å; F454-A456 PolarHBondContact O-N 2.93Å; F454-A456 VanDerWaalsContact O-N 3.11Å |
| 457 | H | 85.5 | Confident | 85.2 | Confident | 45 Ų | 45 | 62.6 Ų | 62.6 | 21% | 0.208 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -97.3 | 134.4 | -176.1 | -169.6 | -82 | 0 | 0 | 0 | 111.6 | F454 P455 Y459 F460 K461 L522 | F454-H457 HydrophobicContact CB-CB 4.04Å; F454-H457 WeakPolarHBondContact O-CB 3.48Å; F454-H457 PolarHBondContact O-N 3.16Å; P455-H457 VanDerWaalsContact C-N 3.34Å; H457-Y459 WeakPolarHBondContact ND1-CB 3.33Å; H457-Y459 PolarHBondContact ND1-N 2.93Å; H457-Y459 PolarHBondContact O-N 3.22Å; H457-Y459 VanDerWaalsContact O-N 3.11Å; H457-F460 HydrophobicContact CB-CD2 4.19Å; H457-F460 AromaticContact ND1-CD2 3.98Å; H457-F460 PolarHBondContact O-N 2.85Å; H457-K461 WeakPolarHBondContact O-CB 3.46Å; H457-K461 PolarHBondContact O-N 2.89Å; H457-L522 WeakPolarHBondContact CE1-CD2 3.46Å |
| 458 | D | 86.1 | Confident | 85.4 | Confident | 119 Ų | 119 | 60.9 Ų | 60.9 | 64% | 0.636 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -34.6 | -173.1 | -74.5 | -34.8 | 0 | 0 | 0 | 114.5 | F460 K461 | D458-F460 VanDerWaalsContact C-N 3.35Å; D458-K461 WeakPolarHBondContact OD1-CE 3.45Å; D458-K461 IonicContact OD1-NZ 3.32Å; D458-K461 PolarHBondContact OD1-NZ 3.42Å |
| 459 | Y | 87.7 | Confident | 85.7 | Confident | 100 Ų | 100 | 58.7 Ų | 58.7 | 39% | 0.392 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -23.8 | 178.5 | -167.7 | -122 | 0 | 0 | 0 | 114.2 | H457 G467 L521 L522 | H457-Y459 WeakPolarHBondContact ND1-CB 3.33Å; H457-Y459 PolarHBondContact ND1-N 2.93Å; H457-Y459 PolarHBondContact O-N 3.22Å; H457-Y459 VanDerWaalsContact O-N 3.11Å; Y459-G467 WeakPolarHBondContact O-CA 3.4Å; Y459-L521 HydrophobicContact CE1-CD2 4.06Å; Y459-L521 HydrophobicContact CE1-CG 4.16Å; Y459-L522 HydrophobicContact CD1-CD2 4.22Å |
| 460 | F | 88.2 | Confident | 86.1 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.6 | -9.5 | -174.5 | -58.8 | -64.4 | 0 | 0 | 0 | 114 | F454 H457 D458 Q462 G467 Q468 L471 A518 L521 L522 | F454-F460 HydrophobicContact CB-CB 4.32Å; F454-F460 HydrophobicContact CB-CD2 3.67Å; F454-F460 HydrophobicContact CB-CE2 4.4Å; F454-F460 HydrophobicContact CB-CG 4.29Å; F454-F460 AromaticContact CD2-CD2 3.96Å; F454-F460 HydrophobicContact CD2-CD2 3.96Å; F454-F460 AromaticContact CD2-CE2 3.81Å; F454-F460 HydrophobicContact CD2-CE2 3.81Å; F454-F460 HydrophobicContact CG-CD2 4.34Å; H457-F460 HydrophobicContact CB-CD2 4.19Å; H457-F460 AromaticContact ND1-CD2 3.98Å; H457-F460 PolarHBondContact O-N 2.85Å; D458-F460 VanDerWaalsContact C-N 3.35Å; F460-Q462 VanDerWaalsContact C-N 3.32Å; F460-Q462 PolarHBondContact O-N 3.25Å; F460-G467 WeakPolarHBondContact CE1-O 3.36Å; F460-Q468 PolarHBondContact O-NE2 3.49Å; F460-L471 HydrophobicContact CD1-CD1 3.46Å; F460-L471 VanDerWaalsContact CD1-CD1 3.46Å; F460-L471 HydrophobicContact CD1-CG 4.19Å; F460-L471 HydrophobicContact CE1-CD1 3.38Å; F460-L471 HydrophobicContact CE1-CD2 4.48Å; F460-L471 HydrophobicContact CE1-CG 3.67Å; F460-L471 HydrophobicContact CG-CD1 4.32Å; F460-L471 HydrophobicContact CZ-CD1 4.16Å; F460-L471 HydrophobicContact CZ-CG 4.44Å; F460-A518 HydrophobicContact CE1-CB 4.45Å; F460-A518 HydrophobicContact CE2-CB 3.95Å; F460-A518 HydrophobicContact CZ-CB 3.82Å; F460-L521 HydrophobicContact CE1-CD2 3.89Å; F460-L521 HydrophobicContact CZ-CD2 4.11Å; F460-L522 HydrophobicContact CE2-CD1 4.2Å; F460-L522 HydrophobicContact CE2-CD2 3.67Å; F460-L522 HydrophobicContact CE2-CG 3.85Å; F460-L522 HydrophobicContact CZ-CD2 4.2Å; F460-L522 HydrophobicContact CZ-CG 4.33Å |
| 461 | K | 85.1 | Confident | 86.2 | Confident | 126 Ų | 126 | 58.7 Ų | 58.7 | 55% | 0.548 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -64.1 | -29.8 | -176.5 | 70.3 | -178.4 | 173.8 | -172.1 | 0 | 114.4 | H457 D458 | H457-K461 WeakPolarHBondContact O-CB 3.46Å; H457-K461 PolarHBondContact O-N 2.89Å; D458-K461 WeakPolarHBondContact OD1-CE 3.45Å; D458-K461 IonicContact OD1-NZ 3.32Å; D458-K461 PolarHBondContact OD1-NZ 3.42Å |
| 462 | Q | 83.9 | Confident | 86.5 | Confident | 138 Ų | 138 | 55.8 Ų | 55.8 | 65% | 0.645 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -84.9 | 118 | -177.6 | -174.5 | 177.4 | 7.9 | 0 | 0 | 110.7 | F460 G464 G465 Q468 | F460-Q462 VanDerWaalsContact C-N 3.32Å; F460-Q462 PolarHBondContact O-N 3.25Å; Q462-G464 PolarHBondContact O-N 2.88Å; Q462-G465 PolarHBondContact O-N 3.28Å; Q462-Q468 PolarHBondContact O-NE2 3.49Å |
| 463 | S | 83.2 | Confident | 86.7 | Confident | 91 Ų | 91 | 54.5 Ų | 54.5 | 64% | 0.636 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | 122.6 | 171.1 | -70.3 | 0 | 0 | 0 | 0 | 111.1 | G465 | S463-G465 PolarHBondContact O-N 2.74Š|
| 464 | G | 79.4 | Confident | 86.6 | Confident | 67 Ų | 67 | 54.4 Ų | 54.4 | 69% | 0.691 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.2 | 11.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q462 | Q462-G464 PolarHBondContact O-N 2.88Š|
| 465 | G | 84.9 | Confident | 86.5 | Confident | 9 Ų | 9 | 54.5 Ų | 54.5 | 9% | 0.093 | 30% | 0.298 | C | S | . | . | trans | -72.1 | 167 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q462 S463 G467 Q468 E469 | Q462-G465 PolarHBondContact O-N 3.28Å; S463-G465 PolarHBondContact O-N 2.74Å; G465-G467 VanDerWaalsContact C-N 3.25Å; G465-G467 PolarHBondContact O-N 2.94Å; G465-G467 VanDerWaalsContact O-N 3.13Å; G465-Q468 PolarHBondContact O-N 2.81Å; G465-E469 PolarHBondContact O-N 2.78Å | ||
| 466 | L | 87.6 | Confident | 86.5 | Confident | 133 Ų | 133 | 53.7 Ų | 53.7 | 70% | 0.696 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -51.3 | -41.1 | -175.9 | -63.7 | 174.6 | 0 | 0 | 0 | 113.3 | E469 A470 | L466-E469 PolarHBondContact O-N 2.78Å; L466-A470 WeakPolarHBondContact O-CB 3.35Å; L466-A470 PolarHBondContact O-N 2.85Å |
| 467 | G | 86.5 | Confident | 86.5 | Confident | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.6 | -38.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y459 F460 G465 L471 | Y459-G467 WeakPolarHBondContact O-CA 3.4Å; F460-G467 WeakPolarHBondContact CE1-O 3.36Å; G465-G467 VanDerWaalsContact C-N 3.25Å; G465-G467 PolarHBondContact O-N 2.94Å; G465-G467 VanDerWaalsContact O-N 3.13Å; G467-L471 WeakPolarHBondContact O-CG 3.46Å; G467-L471 PolarHBondContact O-N 2.89Å; G467-L471 VanDerWaalsContact O-N 3.08Å |
| 468 | Q | 89 | Confident | 86.1 | Confident | 17 Ų | 17 | 49.2 Ų | 49.2 | 8% | 0.079 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -70.8 | -37.7 | 175.6 | -70.2 | -165.8 | 4.5 | 0 | 0 | 111.6 | I450 F460 Q462 G465 L471 Y472 | I450-Q468 HydrophobicContact CG2-CB 3.83Å; I450-Q468 HydrophobicContact CG2-CG 3.83Å; F460-Q468 PolarHBondContact O-NE2 3.49Å; Q462-Q468 PolarHBondContact O-NE2 3.49Å; G465-Q468 PolarHBondContact O-N 2.81Å; Q468-L471 PolarHBondContact O-N 3.45Å; Q468-Y472 WeakPolarHBondContact O-CB 3.46Å; Q468-Y472 PolarHBondContact O-N 2.92Å |
| 469 | E | 91 | Very high | 85.8 | Confident | 86 Ų | 86 | 45.2 Ų | 45.2 | 40% | 0.402 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -62.6 | -46.3 | 175.8 | -166.5 | -168 | 156.1 | 0 | 0 | 111.3 | G465 L466 L471 Y472 K473 | G465-E469 PolarHBondContact O-N 2.78Å; L466-E469 PolarHBondContact O-N 2.78Å; E469-L471 PolarHBondContact O-N 3.42Å; E469-Y472 WeakPolarHBondContact O-CB 3.37Å; E469-Y472 PolarHBondContact O-N 2.82Å; E469-K473 WeakPolarHBondContact O-CG 3.24Å; E469-K473 PolarHBondContact O-N 2.81Å; E469-K473 WeakPolarHBondContact OE1-CE 3.43Å; E469-K473 IonicContact OE1-NZ 3.95Å; E469-K473 PolarHBondContact OE1-NZ 3.47Å |
| 470 | A | 89.8 | Confident | 85.1 | Confident | 4 Ų | 4 | 41.4 Ų | 41.4 | 3% | 0.033 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.3 | -40.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L466 Y472 K473 I474 L521 E526 | L466-A470 WeakPolarHBondContact O-CB 3.35Å; L466-A470 PolarHBondContact O-N 2.85Å; A470-Y472 VanDerWaalsContact C-N 3.34Å; A470-Y472 PolarHBondContact O-N 2.9Å; A470-K473 PolarHBondContact O-N 3.44Å; A470-I474 WeakPolarHBondContact O-CG1 3.29Å; A470-I474 PolarHBondContact O-N 3.31Å; A470-L521 HydrophobicContact CB-CD1 4.28Å; A470-L521 HydrophobicContact CB-CD2 3.66Å; A470-E526 WeakPolarHBondContact CA-OE2 3.49Å; A470-E526 HydrophobicContact CB-CG 4.23Å; A470-E526 VanDerWaalsContact CB-OE2 3.26Å; A470-E526 WeakPolarHBondContact CB-OE2 3.38Å |
| 471 | L | 89.6 | Confident | 84.1 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.3 | -40.2 | 173.3 | -82.4 | 178 | 0 | 0 | 0 | 113.1 | I450 T453 F460 G467 Q468 E469 S475 A517 A518 L521 | I450-L471 HydrophobicContact CD1-CB 4.25Å; I450-L471 HydrophobicContact CG1-CB 4.2Å; T453-L471 HydrophobicContact CG2-CD1 4.04Å; F460-L471 HydrophobicContact CD1-CD1 3.46Å; F460-L471 VanDerWaalsContact CD1-CD1 3.46Å; F460-L471 HydrophobicContact CD1-CG 4.19Å; F460-L471 HydrophobicContact CE1-CD1 3.38Å; F460-L471 HydrophobicContact CE1-CD2 4.48Å; F460-L471 HydrophobicContact CE1-CG 3.67Å; F460-L471 HydrophobicContact CG-CD1 4.32Å; F460-L471 HydrophobicContact CZ-CD1 4.16Å; F460-L471 HydrophobicContact CZ-CG 4.44Å; G467-L471 WeakPolarHBondContact O-CG 3.46Å; G467-L471 PolarHBondContact O-N 2.89Å; G467-L471 VanDerWaalsContact O-N 3.08Å; Q468-L471 PolarHBondContact O-N 3.45Å; E469-L471 PolarHBondContact O-N 3.42Å; L471-S475 VanDerWaalsContact O-CB 3.28Å; L471-S475 WeakPolarHBondContact O-CB 3.22Å; L471-S475 PolarHBondContact O-N 3.34Å; L471-S475 PolarHBondContact O-OG 2.93Å; L471-A517 HydrophobicContact CD2-CB 3.89Å; L471-A518 HydrophobicContact CD1-CB 3.98Å; L471-A518 HydrophobicContact CD2-CB 3.81Å; L471-A518 HydrophobicContact CG-CB 4.44Å; L471-L521 HydrophobicContact CD2-CD2 4.25Å; L471-L521 HydrophobicContact CG-CD2 4.08Å |
| 472 | Y | 90.2 | Very high | 83.5 | Confident | 47 Ų | 47 | 36.3 Ų | 36.3 | 18% | 0.184 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.8 | -48.7 | 175.8 | 174 | -91.8 | 0 | 0 | 0 | 110.8 | E443 I446 L447 I450 Q468 E469 A470 S475 K476 | E443-Y472 HydrophobicContact CG-CE2 3.65Å; E443-Y472 WeakPolarHBondContact CG-OH 3.35Å; E443-Y472 PolarHBondContact OE1-OH 3.07Å; I446-Y472 HydrophobicContact CG2-CD2 4.1Å; L447-Y472 HydrophobicContact CD2-CD2 3.72Å; L447-Y472 HydrophobicContact CD2-CE2 3.98Å; L447-Y472 HydrophobicContact CG-CD2 4.3Å; L447-Y472 HydrophobicContact CG-CE2 4.23Å; I450-Y472 HydrophobicContact CD1-CD2 4.24Å; I450-Y472 HydrophobicContact CD1-CG 4.42Å; Q468-Y472 WeakPolarHBondContact O-CB 3.46Å; Q468-Y472 PolarHBondContact O-N 2.92Å; E469-Y472 WeakPolarHBondContact O-CB 3.37Å; E469-Y472 PolarHBondContact O-N 2.82Å; A470-Y472 VanDerWaalsContact C-N 3.34Å; A470-Y472 PolarHBondContact O-N 2.9Å; Y472-S475 PolarHBondContact O-N 3.33Å; Y472-K476 HydrophobicContact CE1-CD 4.18Å; Y472-K476 VanDerWaalsContact O-CB 3.27Å; Y472-K476 WeakPolarHBondContact O-CB 3.32Å; Y472-K476 PolarHBondContact O-N 3.06Å |
| 473 | K | 89.3 | Confident | 82.8 | Confident | 63 Ų | 63 | 31.8 Ų | 31.8 | 27% | 0.274 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -60 | -48.1 | 176.9 | -69.5 | 174.1 | -175.3 | 165 | 0 | 112 | Y432 L436 E469 A470 S475 K476 A477 E526 | Y432-K473 VanDerWaalsContact OH-CB 3.24Å; Y432-K473 WeakPolarHBondContact OH-CB 3.35Å; Y432-K473 PolarHBondContact OH-O 3.05Å; L436-K473 HydrophobicContact CD1-CB 4.31Å; L436-K473 HydrophobicContact CD1-CD 4.38Å; L436-K473 HydrophobicContact CD1-CG 4.36Å; L436-K473 HydrophobicContact CD2-CB 3.76Å; L436-K473 HydrophobicContact CD2-CG 4.22Å; L436-K473 WeakPolarHBondContact CD2-O 3.16Å; E469-K473 WeakPolarHBondContact O-CG 3.24Å; E469-K473 PolarHBondContact O-N 2.81Å; E469-K473 WeakPolarHBondContact OE1-CE 3.43Å; E469-K473 IonicContact OE1-NZ 3.95Å; E469-K473 PolarHBondContact OE1-NZ 3.47Å; A470-K473 PolarHBondContact O-N 3.44Å; K473-S475 PolarHBondContact O-N 3.22Å; K473-K476 PolarHBondContact O-N 3.24Å; K473-A477 WeakPolarHBondContact O-CB 3.35Å; K473-A477 PolarHBondContact O-N 3.46Å; K473-E526 WeakPolarHBondContact CB-OE1 3.24Å; K473-E526 WeakPolarHBondContact CD-OE1 3.24Å |
| 474 | I | 85.7 | Confident | 82.1 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.4 | -48.7 | 176.2 | -68.2 | 169.6 | 0 | 0 | 0 | 110.9 | Y432 A470 K476 A477 S478 A517 L521 E526 A529 F530 L533 | Y432-I474 PolarHBondContact OH-N 3.08Å; Y432-I474 VanDerWaalsContact OH-N 3.11Å; A470-I474 WeakPolarHBondContact O-CG1 3.29Å; A470-I474 PolarHBondContact O-N 3.31Å; I474-K476 VanDerWaalsContact C-N 3.34Å; I474-K476 PolarHBondContact O-N 2.86Å; I474-A477 PolarHBondContact O-N 2.87Å; I474-S478 VanDerWaalsContact O-CB 3.31Å; I474-S478 WeakPolarHBondContact O-CB 3.46Å; I474-S478 PolarHBondContact O-N 2.78Å; I474-S478 PolarHBondContact O-OG 3.13Å; I474-S478 VanDerWaalsContact O-OG 3.05Å; I474-A517 HydrophobicContact CG2-CB 4.05Å; I474-L521 HydrophobicContact CD1-CD1 4.08Å; I474-L521 HydrophobicContact CD1-CD2 4.44Å; I474-E526 HydrophobicContact CD1-CG 3.9Å; I474-E526 HydrophobicContact CG1-CG 3.62Å; I474-A529 HydrophobicContact CD1-CB 3.85Å; I474-F530 HydrophobicContact CG1-CB 4.43Å; I474-F530 HydrophobicContact CG2-CB 4.4Å; I474-L533 HydrophobicContact CG2-CD2 3.8Å |
| 475 | S | 86.3 | Confident | 81.3 | Confident | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.014 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.9 | -41.4 | -178.2 | -58.8 | 0 | 0 | 0 | 0 | 111.8 | L471 Y472 K473 S478 Y479 | L471-S475 VanDerWaalsContact O-CB 3.28Å; L471-S475 WeakPolarHBondContact O-CB 3.22Å; L471-S475 PolarHBondContact O-N 3.34Å; L471-S475 PolarHBondContact O-OG 2.93Å; Y472-S475 PolarHBondContact O-N 3.33Å; K473-S475 PolarHBondContact O-N 3.22Å; S475-S478 PolarHBondContact O-N 3.4Å; S475-Y479 PolarHBondContact O-N 2.72Å |
| 476 | K | 85.2 | Confident | 80.2 | Confident | 31 Ų | 31 | 32.5 Ų | 32.5 | 14% | 0.135 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.8 | -50.9 | 175.1 | -171.4 | -177.2 | -177 | -167.6 | 0 | 111.5 | L436 K438 C440 Y472 K473 I474 S478 Y479 H480 | L436-K476 PolarHBondContact O-NZ 2.9Å; K438-K476 WeakPolarHBondContact O-CE 3.41Å; K438-K476 PolarHBondContact O-NZ 3.43Å; C440-K476 HydrophobicContact CB-CG 3.91Å; Y472-K476 HydrophobicContact CE1-CD 4.18Å; Y472-K476 VanDerWaalsContact O-CB 3.27Å; Y472-K476 WeakPolarHBondContact O-CB 3.32Å; Y472-K476 PolarHBondContact O-N 3.06Å; K473-K476 PolarHBondContact O-N 3.24Å; I474-K476 VanDerWaalsContact C-N 3.34Å; I474-K476 PolarHBondContact O-N 2.86Å; K476-S478 VanDerWaalsContact C-N 3.33Å; K476-S478 PolarHBondContact O-N 2.77Å; K476-Y479 WeakPolarHBondContact O-CB 3.49Å; K476-Y479 PolarHBondContact O-N 3.17Å; K476-H480 PolarHBondContact O-CD2 3.45Å; K476-H480 PolarHBondContact O-N 2.83Å |
| 477 | A | 81.4 | Confident | 78.7 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.2 | -40.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | Y432 L435 L436 K473 I474 H480 L481 F530 | Y432-A477 HydrophobicContact CD2-CB 3.67Å; Y432-A477 HydrophobicContact CE2-CB 3.39Å; L435-A477 HydrophobicContact CB-CB 4.1Å; L436-A477 HydrophobicContact CD2-CB 3.98Å; K473-A477 WeakPolarHBondContact O-CB 3.35Å; K473-A477 PolarHBondContact O-N 3.46Å; I474-A477 PolarHBondContact O-N 2.87Å; A477-H480 PolarHBondContact O-N 3.08Å; A477-L481 PolarHBondContact O-N 3.36Å; A477-F530 HydrophobicContact CB-CD2 3.95Å; A477-F530 HydrophobicContact CB-CE2 3.69Å; A477-F530 HydrophobicContact CB-CZ 4.31Å |
| 478 | S | 78.6 | Confident | 77.3 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.4 | -44.9 | 176.5 | -70.2 | 0 | 0 | 0 | 0 | 111.7 | I474 S475 K476 H480 L481 F482 L533 | I474-S478 VanDerWaalsContact O-CB 3.31Å; I474-S478 WeakPolarHBondContact O-CB 3.46Å; I474-S478 PolarHBondContact O-N 2.78Å; I474-S478 PolarHBondContact O-OG 3.13Å; I474-S478 VanDerWaalsContact O-OG 3.05Å; S475-S478 PolarHBondContact O-N 3.4Å; K476-S478 VanDerWaalsContact C-N 3.33Å; K476-S478 PolarHBondContact O-N 2.77Å; S478-H480 VanDerWaalsContact C-N 3.34Å; S478-H480 PolarHBondContact O-N 3.03Å; S478-L481 PolarHBondContact O-N 2.77Å; S478-F482 WeakPolarHBondContact O-CB 3.37Å; S478-F482 WeakPolarHBondContact O-CD1 3.41Å; S478-F482 WeakPolarHBondContact O-CD2 3.07Å; S478-F482 WeakPolarHBondContact O-CG 3.48Å; S478-F482 PolarHBondContact O-N 2.78Å; S478-L533 WeakPolarHBondContact OG-CD2 3.39Å |
| 479 | Y | 78.4 | Confident | 75.5 | Confident | 35 Ų | 35 | 38.6 Ų | 38.6 | 14% | 0.137 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -52.3 | -52.2 | 173.3 | 176.6 | -89.1 | 0 | 0 | 0 | 111.5 | C440 P441 N442 S475 K476 L481 F482 A483 | C440-Y479 VanDerWaalsContact SG-CD1 3.58Å; P441-Y479 HydrophobicContact CG-CE1 4.01Å; P441-Y479 WeakPolarHBondContact CG-OH 3.33Å; N442-Y479 HydrophobicContact CB-CD2 4.28Å; N442-Y479 HydrophobicContact CB-CE2 4.09Å; S475-Y479 PolarHBondContact O-N 2.72Å; K476-Y479 WeakPolarHBondContact O-CB 3.49Å; K476-Y479 PolarHBondContact O-N 3.17Å; Y479-L481 PolarHBondContact O-N 2.88Å; Y479-F482 PolarHBondContact O-N 3.33Å; Y479-A483 WeakPolarHBondContact O-CB 3.34Å; Y479-A483 PolarHBondContact O-N 2.79Å |
| 480 | H | 73.1 | Confident | 73.2 | Confident | 20 Ų | 20 | 37.2 Ų | 37.2 | 9% | 0.093 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.2 | -42.5 | -178 | -77.7 | -62.9 | 0 | 0 | 0 | 113.4 | L435 K438 D439 K476 A477 S478 F482 F484 | L435-H480 HydrophobicContact CB-CB 4.27Å; L435-H480 HydrophobicContact CD2-CB 3.73Å; L435-H480 PolarHBondContact O-CD2 2.74Å; L435-H480 VanDerWaalsContact O-CD2 3.27Å; K438-H480 WeakPolarHBondContact CB-CE1 3.13Å; K438-H480 WeakPolarHBondContact CB-NE2 3.13Å; K438-H480 PolarHBondContact O-NE2 2.73Å; D439-H480 PolarHBondContact O-CE1 3Å; K476-H480 PolarHBondContact O-CD2 3.45Å; K476-H480 PolarHBondContact O-N 2.83Å; A477-H480 PolarHBondContact O-N 3.08Å; S478-H480 VanDerWaalsContact C-N 3.34Å; S478-H480 PolarHBondContact O-N 3.03Å; H480-F482 VanDerWaalsContact C-N 3.35Å; H480-F484 VanDerWaalsContact O-CB 3.28Å; H480-F484 WeakPolarHBondContact O-CB 3.39Å; H480-F484 PolarHBondContact O-N 3.43Å |
| 481 | L | 67.2 | Low | 70.8 | Confident | 12 Ų | 12 | 42 Ų | 42 | 6% | 0.063 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66 | -41.9 | 178.1 | -172 | 75.9 | 0 | 0 | 0 | 111 | L428 L435 A477 S478 Y479 F484 L485 F530 V534 | L428-L481 HydrophobicContact CD1-CD1 4.15Å; L428-L481 HydrophobicContact CD1-CD2 3.44Å; L428-L481 VanDerWaalsContact CD1-CD2 3.44Å; L428-L481 HydrophobicContact CD1-CG 4.44Å; L435-L481 HydrophobicContact CD1-CB 3.93Å; L435-L481 HydrophobicContact CD1-CD1 4.09Å; A477-L481 PolarHBondContact O-N 3.36Å; S478-L481 PolarHBondContact O-N 2.77Å; Y479-L481 PolarHBondContact O-N 2.88Å; L481-F484 PolarHBondContact O-N 3.26Å; L481-L485 HydrophobicContact CD1-CD1 4.19Å; L481-L485 HydrophobicContact CD1-CG 4.17Å; L481-L485 HydrophobicContact CD2-CD1 3.95Å; L481-L485 HydrophobicContact CG-CD1 3.74Å; L481-L485 HydrophobicContact CG-CG 4.06Å; L481-L485 WeakPolarHBondContact O-CB 3.44Å; L481-L485 WeakPolarHBondContact O-CG 3.31Å; L481-L485 PolarHBondContact O-N 3.24Å; L481-F530 HydrophobicContact CB-CZ 4.17Å; L481-F530 HydrophobicContact CD2-CE2 4.45Å; L481-F530 HydrophobicContact CD2-CZ 3.81Å; L481-F530 HydrophobicContact CG-CZ 4.49Å; L481-V534 HydrophobicContact CD2-CB 4.16Å; L481-V534 HydrophobicContact CD2-CG1 3.55Å; L481-V534 HydrophobicContact CD2-CG2 3.43Å; L481-V534 VanDerWaalsContact CD2-CG2 3.43Å |
| 482 | F | 73.2 | Confident | 68.6 | Low | 6 Ų | 6 | 50.5 Ų | 50.5 | 3% | 0.026 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.4 | -42.3 | -179.2 | -61.1 | -15.1 | 0 | 0 | 0 | 111.2 | S478 Y479 H480 F486 L513 V534 M537 Y538 | S478-F482 WeakPolarHBondContact O-CB 3.37Å; S478-F482 WeakPolarHBondContact O-CD1 3.41Å; S478-F482 WeakPolarHBondContact O-CD2 3.07Å; S478-F482 WeakPolarHBondContact O-CG 3.48Å; S478-F482 PolarHBondContact O-N 2.78Å; Y479-F482 PolarHBondContact O-N 3.33Å; H480-F482 VanDerWaalsContact C-N 3.35Å; F482-F486 WeakPolarHBondContact O-CB 3.26Å; F482-F486 PolarHBondContact O-N 2.97Å; F482-L513 HydrophobicContact CE2-CD2 3.81Å; F482-V534 HydrophobicContact CE1-CG2 4.02Å; F482-M537 HydrophobicContact CE1-CB 4.21Å; F482-M537 HydrophobicContact CE1-CG 4.41Å; F482-M537 HydrophobicContact CE2-CE 4.19Å; F482-M537 HydrophobicContact CE2-CG 4.23Å; F482-M537 HydrophobicContact CZ-CB 3.98Å; F482-M537 HydrophobicContact CZ-CG 3.69Å; F482-Y538 WeakPolarHBondContact CA-OH 3.45Å; F482-Y538 AromaticContact CD1-CE2 3.48Å; F482-Y538 HydrophobicContact CD1-CE2 3.48Å; F482-Y538 VanDerWaalsContact CD1-CE2 3.48Å; F482-Y538 HydrophobicContact CE1-CD2 4.3Å; F482-Y538 AromaticContact CE1-CE2 3.66Å; F482-Y538 HydrophobicContact CE1-CE2 3.66Å; F482-Y538 HydrophobicContact CG-CE2 4.47Å |
| 483 | A | 68.5 | Low | 66.4 | Low | 44 Ų | 44 | 54.1 Ų | 54.1 | 36% | 0.364 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.1 | -43.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y479 S487 | Y479-A483 WeakPolarHBondContact O-CB 3.34Å; Y479-A483 PolarHBondContact O-N 2.79Å; A483-S487 PolarHBondContact O-N 3.49Å; A483-S487 VanDerWaalsContact O-N 3.09Å |
| 484 | F | 68.5 | Low | 64 | Low | 92 Ų | 92 | 57.4 Ų | 57.4 | 40% | 0.404 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -68.7 | -49.3 | -179.1 | 178.6 | -100.1 | 0 | 0 | 0 | 113.3 | H480 L481 F486 S487 K488 | H480-F484 VanDerWaalsContact O-CB 3.28Å; H480-F484 WeakPolarHBondContact O-CB 3.39Å; H480-F484 PolarHBondContact O-N 3.43Å; L481-F484 PolarHBondContact O-N 3.26Å; F484-F486 PolarHBondContact O-N 2.83Å; F484-S487 WeakPolarHBondContact O-CB 3.27Å; F484-S487 PolarHBondContact O-N 3.33Å; F484-K488 HydrophobicContact CE1-CD 3.78Å; F484-K488 HydrophobicContact CE1-CG 4.38Å; F484-K488 HydrophobicContact CZ-CD 3.96Å; F484-K488 VanDerWaalsContact CZ-CE 3.47Å; F484-K488 HydrophobicContact CZ-CG 4.39Å; F484-K488 PolarHBondContact O-N 3.43Å |
| 485 | L | 64.3 | Low | 61.6 | Low | 50 Ų | 50 | 65.6 Ų | 65.6 | 26% | 0.262 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.2 | -33.6 | 178 | -73.2 | 177.6 | 0 | 0 | 0 | 111 | L481 K488 T489 Y538 | L481-L485 HydrophobicContact CD1-CD1 4.19Å; L481-L485 HydrophobicContact CD1-CG 4.17Å; L481-L485 HydrophobicContact CD2-CD1 3.95Å; L481-L485 HydrophobicContact CG-CD1 3.74Å; L481-L485 HydrophobicContact CG-CG 4.06Å; L481-L485 WeakPolarHBondContact O-CB 3.44Å; L481-L485 WeakPolarHBondContact O-CG 3.31Å; L481-L485 PolarHBondContact O-N 3.24Å; L485-K488 PolarHBondContact O-N 2.82Å; L485-T489 WeakPolarHBondContact O-CB 3.3Å; L485-T489 PolarHBondContact O-N 2.77Å; L485-T489 PolarHBondContact O-OG1 3.4Å; L485-Y538 HydrophobicContact CB-CE1 4.03Å; L485-Y538 WeakPolarHBondContact CB-OH 3.41Å; L485-Y538 HydrophobicContact CD1-CD1 4.42Å; L485-Y538 HydrophobicContact CD1-CD2 4.37Å; L485-Y538 HydrophobicContact CD1-CE1 3.85Å; L485-Y538 HydrophobicContact CD1-CE2 3.82Å |
| 486 | F | 61.3 | Low | 59.4 | Low | 40 Ų | 40 | 72.3 Ų | 72.3 | 18% | 0.175 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -61.4 | -51.8 | 172.6 | -179.7 | -117.1 | 0 | 0 | 0 | 111.6 | F482 F484 K488 T489 L490 E506 | F482-F486 WeakPolarHBondContact O-CB 3.26Å; F482-F486 PolarHBondContact O-N 2.97Å; F484-F486 PolarHBondContact O-N 2.83Å; F486-K488 PolarHBondContact O-N 2.73Å; F486-T489 PolarHBondContact O-N 2.89Å; F486-T489 VanDerWaalsContact O-N 3.09Å; F486-L490 HydrophobicContact CD1-CD1 3.87Å; F486-L490 HydrophobicContact CD2-CD1 4.26Å; F486-L490 HydrophobicContact CE1-CD1 3.28Å; F486-L490 HydrophobicContact CE2-CD1 3.68Å; F486-L490 HydrophobicContact CE2-CG 4.16Å; F486-L490 HydrophobicContact CG-CD1 4.34Å; F486-L490 HydrophobicContact CZ-CD1 3.18Å; F486-L490 HydrophobicContact CZ-CG 4.08Å; F486-L490 WeakPolarHBondContact O-CB 3.34Å; F486-L490 PolarHBondContact O-N 2.91Å; F486-E506 HydrophobicContact CD2-CB 4.45Å; F486-E506 HydrophobicContact CE1-CB 3.94Å; F486-E506 HydrophobicContact CE2-CB 3.75Å; F486-E506 WeakPolarHBondContact CE2-OE2 3.14Å; F486-E506 HydrophobicContact CZ-CB 3.42Å; F486-E506 VanDerWaalsContact CZ-CB 3.42Å; F486-E506 HydrophobicContact CZ-CG 4.3Å; F486-E506 VanDerWaalsContact CZ-OE2 3.27Å; F486-E506 WeakPolarHBondContact CZ-OE2 3.35Å |
| 487 | S | 56.4 | Low | 57.1 | Low | 67 Ų | 67 | 78.5 Ų | 78.5 | 47% | 0.469 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -53.9 | -40.5 | 175.5 | 178.2 | 0 | 0 | 0 | 0 | 112.4 | A483 F484 N491 | A483-S487 PolarHBondContact O-N 3.49Å; A483-S487 VanDerWaalsContact O-N 3.09Å; F484-S487 WeakPolarHBondContact O-CB 3.27Å; F484-S487 PolarHBondContact O-N 3.33Å; S487-N491 PolarHBondContact O-N 3.08Å; S487-N491 PolarHBondContact O-ND2 3.39Å; S487-N491 VanDerWaalsContact O-ND2 3.1Å |
| 488 | K | 55.9 | Low | 54.7 | Low | 126 Ų | 126 | 86.9 Ų | 86.9 | 55% | 0.548 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -69.7 | -41.5 | 175.2 | -85.3 | -167.3 | 169.3 | -176.9 | 0 | 114.3 | F484 L485 F486 L490 N491 | F484-K488 HydrophobicContact CE1-CD 3.78Å; F484-K488 HydrophobicContact CE1-CG 4.38Å; F484-K488 HydrophobicContact CZ-CD 3.96Å; F484-K488 VanDerWaalsContact CZ-CE 3.47Å; F484-K488 HydrophobicContact CZ-CG 4.39Å; F484-K488 PolarHBondContact O-N 3.43Å; L485-K488 PolarHBondContact O-N 2.82Å; F486-K488 PolarHBondContact O-N 2.73Å; K488-L490 VanDerWaalsContact C-N 3.33Å; K488-N491 PolarHBondContact O-N 2.93Å |
| 489 | T | 50.8 | Low | 52.3 | Low | 85 Ų | 85 | 91 Ų | 91 | 52% | 0.521 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -67.7 | -38.7 | -178.3 | -50.5 | 0 | 0 | 0 | 0 | 110.6 | L485 F486 N491 Q492 | L485-T489 WeakPolarHBondContact O-CB 3.3Å; L485-T489 PolarHBondContact O-N 2.77Å; L485-T489 PolarHBondContact O-OG1 3.4Å; F486-T489 PolarHBondContact O-N 2.89Å; F486-T489 VanDerWaalsContact O-N 3.09Å; T489-N491 VanDerWaalsContact C-N 3.33Å; T489-N491 PolarHBondContact O-N 3.22Å; T489-Q492 PolarHBondContact O-N 3.45Å |
| 490 | L | 42.9 | Very low | 49.9 | Very low | 58 Ų | 58 | 100.5 Ų | 100.5 | 30% | 0.304 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -57.5 | -44.2 | 171.5 | -104 | 160.5 | 0 | 0 | 0 | 111.4 | F486 K488 Q492 L493 Y494 | F486-L490 HydrophobicContact CD1-CD1 3.87Å; F486-L490 HydrophobicContact CD2-CD1 4.26Å; F486-L490 HydrophobicContact CE1-CD1 3.28Å; F486-L490 HydrophobicContact CE2-CD1 3.68Å; F486-L490 HydrophobicContact CE2-CG 4.16Å; F486-L490 HydrophobicContact CG-CD1 4.34Å; F486-L490 HydrophobicContact CZ-CD1 3.18Å; F486-L490 HydrophobicContact CZ-CG 4.08Å; F486-L490 WeakPolarHBondContact O-CB 3.34Å; F486-L490 PolarHBondContact O-N 2.91Å; K488-L490 VanDerWaalsContact C-N 3.33Å; L490-Q492 PolarHBondContact O-N 3.36Å; L490-Q492 VanDerWaalsContact O-N 3.15Å; L490-L493 CarbonylContact O-C 3.57Å; L490-L493 PolarHBondContact O-N 2.85Å; L490-Y494 HydrophobicContact CB-CD2 3.7Å; L490-Y494 HydrophobicContact CB-CE2 3.61Å; L490-Y494 HydrophobicContact CD1-CE2 4.23Å; L490-Y494 HydrophobicContact CD2-CD2 3.78Å; L490-Y494 HydrophobicContact CD2-CE2 3.34Å; L490-Y494 HydrophobicContact CG-CD2 4.31Å; L490-Y494 HydrophobicContact CG-CE2 3.9Å; L490-Y494 WeakPolarHBondContact O-CB 3.45Å; L490-Y494 WeakPolarHBondContact O-CD2 3.45Å; L490-Y494 PolarHBondContact O-N 3Å |
| 491 | N | 39.5 | Very low | 47.8 | Very low | 103 Ų | 103 | 103.8 Ų | 103.8 | 55% | 0.551 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -60.5 | -25.9 | -176.6 | -80.7 | -37.7 | 0 | 0 | 0 | 114.7 | S487 K488 T489 | S487-N491 PolarHBondContact O-N 3.08Å; S487-N491 PolarHBondContact O-ND2 3.39Å; S487-N491 VanDerWaalsContact O-ND2 3.1Å; K488-N491 PolarHBondContact O-N 2.93Å; T489-N491 VanDerWaalsContact C-N 3.33Å; T489-N491 PolarHBondContact O-N 3.22Å |
| 492 | Q | 43.7 | Very low | 46.1 | Very low | 179 Ų | 179 | 110 Ų | 110 | 84% | 0.836 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -80.5 | -22.4 | 174.2 | -77.9 | -173.8 | -14 | 0 | 0 | 113.4 | T489 L490 | T489-Q492 PolarHBondContact O-N 3.45Å; L490-Q492 PolarHBondContact O-N 3.36Å; L490-Q492 VanDerWaalsContact O-N 3.15Å |
| 493 | L | 43.7 | Very low | 44.2 | Very low | 124 Ų | 124 | 117.7 Ų | 117.7 | 65% | 0.649 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -96.4 | -21.6 | 177.1 | -144.7 | 73.4 | 0 | 0 | 0 | 112.7 | L490 M495 L496 | L490-L493 CarbonylContact O-C 3.57Å; L490-L493 PolarHBondContact O-N 2.85Å; L493-M495 PolarHBondContact O-N 3.21Å; L493-M495 VanDerWaalsContact O-N 3.09Å; L493-L496 PolarHBondContact O-N 3.28Å; L493-L496 VanDerWaalsContact O-N 3.15Å |
| 494 | Y | 38.7 | Very low | 42.6 | Very low | 132 Ų | 132 | 120.2 Ų | 120.2 | 52% | 0.518 | 61% | 0.608 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -59.2 | -17 | 179.6 | -105.4 | -71.2 | 0 | 0 | 0 | 114.8 | L490 | L490-Y494 HydrophobicContact CB-CD2 3.7Å; L490-Y494 HydrophobicContact CB-CE2 3.61Å; L490-Y494 HydrophobicContact CD1-CE2 4.23Å; L490-Y494 HydrophobicContact CD2-CD2 3.78Å; L490-Y494 HydrophobicContact CD2-CE2 3.34Å; L490-Y494 HydrophobicContact CG-CD2 4.31Å; L490-Y494 HydrophobicContact CG-CE2 3.9Å; L490-Y494 WeakPolarHBondContact O-CB 3.45Å; L490-Y494 WeakPolarHBondContact O-CD2 3.45Å; L490-Y494 PolarHBondContact O-N 3Å |
| 495 | M | 36.1 | Very low | 41.3 | Very low | 171 Ų | 171 | 119.8 Ų | 119.8 | 84% | 0.842 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | -11.4 | 176.1 | -92.6 | -116.9 | -73 | 0 | 0 | 114.4 | L493 | L493-M495 PolarHBondContact O-N 3.21Å; L493-M495 VanDerWaalsContact O-N 3.09Å |
| 496 | L | 40.1 | Very low | 40.7 | Very low | 144 Ų | 144 | 119.7 Ų | 119.7 | 75% | 0.754 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.7 | -15.7 | -175 | -154.4 | 74.6 | 0 | 0 | 0 | 114.8 | L493 | L493-L496 PolarHBondContact O-N 3.28Å; L493-L496 VanDerWaalsContact O-N 3.15Å |
| 497 | F | 36.4 | Very low | 40.6 | Very low | 160 Ų | 160 | 119 Ų | 119 | 70% | 0.702 | 62% | 0.619 | S | S | * | * | trans | -126.8 | 45.4 | -174.1 | -80.4 | -84.1 | 0 | 0 | 0 | 113.5 | A499 | F497-A499 PolarHBondContact O-N 2.91Š| ||
| 498 | Q | 30.6 | Very low | 40.7 | Very low | 177 Ų | 177 | 116.5 Ų | 116.5 | 83% | 0.827 | 60% | 0.603 | S | S | * | * | trans | -70.8 | 20.8 | -174.1 | -111.5 | -168 | 45.8 | 0 | 0 | 117.1 | ||||
| 499 | A | 28.7 | Very low | 41 | Very low | 87 Ų | 87 | 111 Ų | 111 | 72% | 0.719 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -143.4 | 121.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110 | F497 | F497-A499 PolarHBondContact O-N 2.91Š|
| 500 | Y | 27.7 | Very low | 41.9 | Very low | 234 Ų | 234 | 107.2 Ų | 107.2 | 92% | 0.918 | 56% | 0.556 | S | S | * | * | S | Bend | trans | 97.1 | 127.9 | 166.5 | -138.7 | -101.3 | 0 | 0 | 0 | 116.7 | ||
| 501 | A | 29.2 | Very low | 43.2 | Very low | 88 Ų | 88 | 109.8 Ų | 109.8 | 73% | 0.727 | 57% | 0.567 | S | S | * | * | trans | 89.1 | 101.3 | 163.8 | 0 | 0 | 0 | 0 | 0 | 119.3 | Y503 | A501-Y503 PolarHBondContact O-N 3.26Š| ||
| 502 | V | 32.2 | Very low | 44.7 | Very low | 144 Ų | 144 | 105.1 Ų | 105.1 | 87% | 0.873 | 54% | 0.543 | S | S | * | . | trans | -61.2 | 114.3 | 149.5 | 171.7 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 503 | Y | 32.4 | Very low | 46.5 | Very low | 166 Ų | 166 | 96.8 Ų | 96.8 | 65% | 0.651 | 50% | 0.504 | S | S | * | . | trans | -166.7 | 136.1 | 161.5 | -140.1 | -113.8 | 0 | 0 | 0 | 114.7 | A501 E710 | A501-Y503 PolarHBondContact O-N 3.26Å; Y503-E710 PolarHBondContact OH-OE1 3.28Å | ||
| 504 | D | 34.7 | Very low | 48.6 | Very low | 98 Ų | 98 | 90.9 Ų | 90.9 | 52% | 0.524 | 47% | 0.473 | S | S | . | . | trans | 80.4 | 127.3 | 149.5 | -131.9 | -18.4 | 0 | 0 | 0 | 123.9 | E506 | D504-E506 VanDerWaalsContact C-N 3.31Å; D504-E506 PolarHBondContact O-N 2.9Å; D504-E506 VanDerWaalsContact O-N 3.11Å | ||
| 505 | A | 42.1 | Very low | 51.1 | Low | 82 Ų | 82 | 85.2 Ų | 85.2 | 68% | 0.678 | 45% | 0.451 | S | S | * | . | trans | -83.1 | 69.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | V507 | A505-V507 VanDerWaalsContact C-N 3.29Å; A505-V507 PolarHBondContact O-N 3.37Å | ||
| 506 | E | 52.7 | Low | 53.7 | Low | 48 Ų | 48 | 77.1 Ų | 77.1 | 22% | 0.224 | 41% | 0.411 | C | S | . | . | trans | -62.1 | -3.6 | -140.2 | -145.2 | -169.9 | 168.3 | 0 | 0 | 119.8 | F486 D504 Q548 | F486-E506 HydrophobicContact CD2-CB 4.45Å; F486-E506 HydrophobicContact CE1-CB 3.94Å; F486-E506 HydrophobicContact CE2-CB 3.75Å; F486-E506 WeakPolarHBondContact CE2-OE2 3.14Å; F486-E506 HydrophobicContact CZ-CB 3.42Å; F486-E506 VanDerWaalsContact CZ-CB 3.42Å; F486-E506 HydrophobicContact CZ-CG 4.3Å; F486-E506 VanDerWaalsContact CZ-OE2 3.27Å; F486-E506 WeakPolarHBondContact CZ-OE2 3.35Å; D504-E506 VanDerWaalsContact C-N 3.31Å; D504-E506 PolarHBondContact O-N 2.9Å; D504-E506 VanDerWaalsContact O-N 3.11Å; E506-Q548 WeakPolarHBondContact OE1-CG 3.23Å | ||
| 507 | V | 57.8 | Low | 56.2 | Low | 26 Ų | 26 | 70.4 Ų | 70.4 | 16% | 0.158 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -152.4 | -37.4 | 167.7 | 179.7 | 0 | 0 | 0 | 0 | 113.2 | A505 C510 F546 K547 | A505-V507 VanDerWaalsContact C-N 3.29Å; A505-V507 PolarHBondContact O-N 3.37Å; V507-C510 WeakPolarHBondContact CG1-SG 3.23Å; V507-F546 HydrophobicContact CG1-CB 3.79Å; V507-F546 HydrophobicContact CG1-CG 4.44Å; V507-F546 HydrophobicContact CG2-CB 4.39Å; V507-K547 HydrophobicContact CG2-CG 3.68Å |
| 508 | G | 59.7 | Low | 58.9 | Low | 14 Ų | 14 | 62.8 Ų | 62.8 | 14% | 0.144 | 34% | 0.343 | C | S | . | . | S | Bend | trans | 50.4 | -146 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 509 | Y | 61.2 | Low | 61.9 | Low | 11 Ų | 11 | 54.3 Ų | 54.3 | 4% | 0.043 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -80.4 | 116.7 | 168 | 171.1 | -93.7 | 0 | 0 | 0 | 108.2 | V445 I446 D449 L513 S514 | V445-Y509 HydrophobicContact CG1-CD1 4.06Å; V445-Y509 HydrophobicContact CG1-CE1 4.27Å; I446-Y509 HydrophobicContact CD1-CD2 4.42Å; I446-Y509 HydrophobicContact CD1-CG 4.34Å; I446-Y509 HydrophobicContact CG1-CD1 3.84Å; I446-Y509 HydrophobicContact CG1-CD2 3.86Å; I446-Y509 HydrophobicContact CG1-CE1 4.24Å; I446-Y509 HydrophobicContact CG1-CE2 4.24Å; I446-Y509 HydrophobicContact CG1-CG 3.66Å; D449-Y509 HydrophobicContact CB-CE1 4.11Å; D449-Y509 WeakPolarHBondContact CB-OH 3.35Å; D449-Y509 WeakPolarHBondContact OD2-CE1 3.46Å; D449-Y509 PolarHBondContact OD2-OH 3.08Å; Y509-L513 HydrophobicContact CE2-CB 4.08Å; Y509-S514 VanDerWaalsContact OH-CB 3.24Å; Y509-S514 WeakPolarHBondContact OH-CB 3.19Å; Y509-S514 PolarHBondContact OH-N 3.38Å; Y509-S514 PolarHBondContact OH-OG 3.46Å |
| 510 | C | 70 | Confident | 65 | Low | 6 Ų | 6 | 50.2 Ų | 50.2 | 4% | 0.041 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -81.3 | 133 | 177.6 | -50.2 | 0 | 0 | 0 | 0 | 111.1 | V507 G512 L513 F546 | V507-C510 WeakPolarHBondContact CG1-SG 3.23Å; C510-G512 PolarHBondContact O-N 3.15Å; C510-L513 HydrophobicContact CB-CB 4.47Å; C510-L513 VanDerWaalsContact O-CB 3.25Å; C510-L513 WeakPolarHBondContact O-CB 3.28Å; C510-L513 PolarHBondContact O-N 2.95Å; C510-F546 HydrophobicContact CB-CD1 3.54Å; C510-F546 HydrophobicContact CB-CD2 4.42Å; C510-F546 HydrophobicContact CB-CE1 3.35Å; C510-F546 HydrophobicContact CB-CE2 4.26Å; C510-F546 HydrophobicContact CB-CG 4.07Å; C510-F546 HydrophobicContact CB-CZ 3.73Å; C510-F546 VanDerWaalsContact SG-CD1 3.57Å; C510-F546 WeakPolarHBondContact SG-CG 3.34Å |
| 511 | Q | 69.2 | Low | 68.1 | Low | 111 Ų | 111 | 39.7 Ų | 39.7 | 52% | 0.519 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | 125.9 | 174.3 | -171.9 | 178.8 | -20.2 | 0 | 0 | 110.9 | D449 | D449-Q511 WeakPolarHBondContact OD2-CA 3.46Š|
| 512 | G | 71.8 | Confident | 71.1 | Confident | 5 Ų | 5 | 37.7 Ų | 37.7 | 5% | 0.052 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 92.1 | -4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | D449 C510 S514 F515 | D449-G512 PolarHBondContact OD2-N 3.34Å; C510-G512 PolarHBondContact O-N 3.15Å; G512-S514 PolarHBondContact O-N 3.33Å; G512-F515 WeakPolarHBondContact O-CD2 3.44Å; G512-F515 PolarHBondContact O-N 2.93Å |
| 513 | L | 82.1 | Confident | 73.9 | Confident | 4 Ų | 4 | 32.4 Ų | 32.4 | 2% | 0.021 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.1 | -28.7 | 175.4 | -169.1 | 67.1 | 0 | 0 | 0 | 112.3 | F482 Y509 C510 F515 L516 A517 L533 M537 | F482-L513 HydrophobicContact CE2-CD2 3.81Å; Y509-L513 HydrophobicContact CE2-CB 4.08Å; C510-L513 HydrophobicContact CB-CB 4.47Å; C510-L513 VanDerWaalsContact O-CB 3.25Å; C510-L513 WeakPolarHBondContact O-CB 3.28Å; C510-L513 PolarHBondContact O-N 2.95Å; L513-F515 PolarHBondContact O-N 2.7Å; L513-L516 HydrophobicContact CD1-CD2 4.46Å; L513-L516 PolarHBondContact O-N 3.23Å; L513-L516 VanDerWaalsContact O-N 3.15Å; L513-A517 PolarHBondContact O-N 3.47Å; L513-L533 HydrophobicContact CD1-CD1 3.81Å; L513-L533 HydrophobicContact CD2-CD2 4.39Å; L513-L533 HydrophobicContact CG-CD1 4.23Å; L513-L533 HydrophobicContact CG-CD2 4.41Å; L513-M537 HydrophobicContact CD1-CE 4.2Å; L513-M537 HydrophobicContact CD1-CG 4.41Å; L513-M537 HydrophobicContact CD1-SD 3.79Å |
| 514 | S | 87.5 | Confident | 76.7 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -54.9 | -35.9 | 176.2 | 57.6 | 0 | 0 | 0 | 0 | 113.6 | T453 Y509 G512 A517 A518 | T453-S514 VanDerWaalsContact OG1-CB 3.27Å; T453-S514 WeakPolarHBondContact OG1-CB 3.23Å; T453-S514 PolarHBondContact OG1-OG 3.49Å; Y509-S514 VanDerWaalsContact OH-CB 3.24Å; Y509-S514 WeakPolarHBondContact OH-CB 3.19Å; Y509-S514 PolarHBondContact OH-N 3.38Å; Y509-S514 PolarHBondContact OH-OG 3.46Å; G512-S514 PolarHBondContact O-N 3.33Å; S514-A517 PolarHBondContact O-N 3.29Å; S514-A518 VanDerWaalsContact O-CB 3.28Å; S514-A518 WeakPolarHBondContact O-CB 3.4Å; S514-A518 PolarHBondContact O-N 3.03Å |
| 515 | F | 90.1 | Very high | 79.4 | Confident | 13 Ų | 13 | 24.3 Ų | 24.3 | 6% | 0.057 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -66.9 | -38.5 | 179.2 | -64.1 | -81.5 | 0 | 0 | 0 | 112.3 | S364 R452 T453 F454 G512 L513 S519 T595 A596 | S364-F515 WeakPolarHBondContact OG-CE1 3.42Å; R452-F515 HydrophobicContact CG-CZ 4.28Å; R452-F515 WeakPolarHBondContact O-CE1 3.35Å; R452-F515 WeakPolarHBondContact O-CZ 3.22Å; T453-F515 HydrophobicContact CG2-CD1 3.94Å; T453-F515 HydrophobicContact CG2-CE1 4.38Å; T453-F515 HydrophobicContact CG2-CG 4.32Å; F454-F515 HydrophobicContact CD1-CD1 4.01Å; F454-F515 AromaticContact CE1-CD1 3.87Å; F454-F515 HydrophobicContact CE1-CD1 3.87Å; G512-F515 WeakPolarHBondContact O-CD2 3.44Å; G512-F515 PolarHBondContact O-N 2.93Å; L513-F515 PolarHBondContact O-N 2.7Å; F515-S519 PolarHBondContact O-N 3.15Å; F515-S519 PolarHBondContact O-OG 3.06Å; F515-T595 WeakPolarHBondContact CB-OG1 3.4Å; F515-A596 HydrophobicContact CD2-CB 3.97Å; F515-A596 HydrophobicContact CE2-CB 4.13Å; F515-A596 HydrophobicContact CG-CB 4.18Å; F515-A596 HydrophobicContact CZ-CB 4.47Å |
| 516 | L | 91.8 | Very high | 81.6 | Confident | 2 Ų | 2 | 22.4 Ų | 22.4 | 1% | 0.01 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -68.6 | -44.5 | 173.6 | -178.6 | 60.6 | 0 | 0 | 0 | 110.6 | L513 A518 S519 L520 L533 I536 L542 L593 T595 I607 | L513-L516 HydrophobicContact CD1-CD2 4.46Å; L513-L516 PolarHBondContact O-N 3.23Å; L513-L516 VanDerWaalsContact O-N 3.15Å; L516-A518 VanDerWaalsContact C-N 3.29Å; L516-A518 PolarHBondContact O-N 2.97Å; L516-S519 PolarHBondContact O-N 3.05Å; L516-L520 WeakPolarHBondContact O-CG 3.03Å; L516-L520 PolarHBondContact O-N 3.28Å; L516-L520 VanDerWaalsContact O-N 3.13Å; L516-L533 HydrophobicContact CB-CD1 4.36Å; L516-L533 HydrophobicContact CD2-CD1 3.68Å; L516-L533 HydrophobicContact CG-CD1 3.87Å; L516-I536 HydrophobicContact CD1-CD1 4.3Å; L516-I536 HydrophobicContact CD2-CD1 4.24Å; L516-I536 HydrophobicContact CD2-CG2 3.91Å; L516-L542 HydrophobicContact CD2-CD2 3.89Å; L516-L593 HydrophobicContact CD1-CD1 4.15Å; L516-L593 HydrophobicContact CD2-CD1 4.21Å; L516-T595 HydrophobicContact CB-CG2 4.47Å; L516-T595 HydrophobicContact CD1-CG2 4.18Å; L516-I607 HydrophobicContact CD1-CD1 4.2Å |
| 517 | A | 92.5 | Very high | 83.3 | Confident | 2 Ų | 2 | 23 Ų | 23 | 2% | 0.017 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -58.1 | -42.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L471 I474 L513 S514 L520 L521 L533 | L471-A517 HydrophobicContact CD2-CB 3.89Å; I474-A517 HydrophobicContact CG2-CB 4.05Å; L513-A517 PolarHBondContact O-N 3.47Å; S514-A517 PolarHBondContact O-N 3.29Å; A517-L520 PolarHBondContact O-N 2.86Å; A517-L521 WeakPolarHBondContact O-CB 3.34Å; A517-L521 PolarHBondContact O-N 2.99Å; A517-L533 HydrophobicContact CB-CD2 3.99Å |
| 518 | A | 93.1 | Very high | 84.8 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -65.2 | -40.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | T453 F454 F460 L471 S514 L516 L520 L521 L522 | T453-A518 HydrophobicContact CG2-CB 3.58Å; F454-A518 HydrophobicContact CD2-CB 3.39Å; F454-A518 HydrophobicContact CE2-CB 3.42Å; F454-A518 VanDerWaalsContact CE2-CB 3.42Å; F454-A518 HydrophobicContact CG-CB 4.29Å; F454-A518 HydrophobicContact CZ-CB 4.35Å; F460-A518 HydrophobicContact CE1-CB 4.45Å; F460-A518 HydrophobicContact CE2-CB 3.95Å; F460-A518 HydrophobicContact CZ-CB 3.82Å; L471-A518 HydrophobicContact CD1-CB 3.98Å; L471-A518 HydrophobicContact CD2-CB 3.81Å; L471-A518 HydrophobicContact CG-CB 4.44Å; S514-A518 VanDerWaalsContact O-CB 3.28Å; S514-A518 WeakPolarHBondContact O-CB 3.4Å; S514-A518 PolarHBondContact O-N 3.03Å; L516-A518 VanDerWaalsContact C-N 3.29Å; L516-A518 PolarHBondContact O-N 2.97Å; A518-L520 VanDerWaalsContact C-N 3.28Å; A518-L520 PolarHBondContact O-N 2.99Å; A518-L521 PolarHBondContact O-N 3.2Å; A518-L522 WeakPolarHBondContact O-CG 3.43Å; A518-L522 PolarHBondContact O-N 3.33Å; A518-L522 VanDerWaalsContact O-N 3.14Å |
| 519 | S | 93.3 | Very high | 86.4 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -62.4 | -37.8 | 177.6 | -56.7 | 0 | 0 | 0 | 0 | 111.9 | F454 F515 L516 H523 | F454-S519 WeakPolarHBondContact CZ-OG 3.3Å; F515-S519 PolarHBondContact O-N 3.15Å; F515-S519 PolarHBondContact O-OG 3.06Å; L516-S519 PolarHBondContact O-N 3.05Å; S519-H523 PolarHBondContact O-ND1 3.02Å; S519-H523 VanDerWaalsContact O-ND1 3.17Å |
| 520 | L | 94.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -69.9 | -46.5 | 174.7 | -65.4 | 172.8 | 0 | 0 | 0 | 111.6 | W416 L516 A517 A518 L522 H523 M524 A529 V532 L533 I536 | W416-L520 HydrophobicContact CE3-CD2 3.69Å; W416-L520 HydrophobicContact CZ3-CD2 3.9Å; L516-L520 WeakPolarHBondContact O-CG 3.03Å; L516-L520 PolarHBondContact O-N 3.28Å; L516-L520 VanDerWaalsContact O-N 3.13Å; A517-L520 PolarHBondContact O-N 2.86Å; A518-L520 VanDerWaalsContact C-N 3.28Å; A518-L520 PolarHBondContact O-N 2.99Å; L520-L522 PolarHBondContact O-N 3.12Å; L520-H523 PolarHBondContact O-N 3.28Å; L520-M524 HydrophobicContact CD2-CE 4.26Å; L520-M524 WeakPolarHBondContact O-CG 3.47Å; L520-M524 PolarHBondContact O-N 3.36Å; L520-A529 HydrophobicContact CB-CB 3.96Å; L520-V532 HydrophobicContact CD1-CB 4.21Å; L520-V532 HydrophobicContact CD1-CG1 4.05Å; L520-V532 HydrophobicContact CD2-CB 4.31Å; L520-V532 HydrophobicContact CD2-CG1 3.65Å; L520-L533 HydrophobicContact CD1-CB 3.87Å; L520-L533 HydrophobicContact CD1-CD1 4.31Å; L520-I536 HydrophobicContact CD1-CD1 4.27Å; L520-I536 HydrophobicContact CD2-CD1 4.5Å |
| 521 | L | 93 | Very high | 88.7 | Confident | 14 Ų | 14 | 25.9 Ų | 25.9 | 7% | 0.073 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61.7 | -26.6 | -177.4 | -173.6 | 63.1 | 0 | 0 | 0 | 113.3 | Y459 F460 A470 L471 I474 A517 A518 H523 E526 A529 | Y459-L521 HydrophobicContact CE1-CD2 4.06Å; Y459-L521 HydrophobicContact CE1-CG 4.16Å; F460-L521 HydrophobicContact CE1-CD2 3.89Å; F460-L521 HydrophobicContact CZ-CD2 4.11Å; A470-L521 HydrophobicContact CB-CD1 4.28Å; A470-L521 HydrophobicContact CB-CD2 3.66Å; L471-L521 HydrophobicContact CD2-CD2 4.25Å; L471-L521 HydrophobicContact CG-CD2 4.08Å; I474-L521 HydrophobicContact CD1-CD1 4.08Å; I474-L521 HydrophobicContact CD1-CD2 4.44Å; A517-L521 WeakPolarHBondContact O-CB 3.34Å; A517-L521 PolarHBondContact O-N 2.99Å; A518-L521 PolarHBondContact O-N 3.2Å; L521-H523 PolarHBondContact O-N 3.45Å; L521-E526 HydrophobicContact CD1-CB 4.28Å; L521-A529 HydrophobicContact CB-CB 4.47Å; L521-A529 HydrophobicContact CD1-CB 4.47Å |
| 522 | L | 91.9 | Very high | 89.8 | Confident | 46 Ų | 46 | 20.6 Ų | 20.6 | 24% | 0.241 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -16.4 | 173.6 | -71 | 175.3 | 0 | 0 | 0 | 114.1 | F454 H457 Y459 F460 A518 L520 L600 F604 | F454-L522 HydrophobicContact CD2-CD1 4.42Å; F454-L522 HydrophobicContact CE2-CD1 4.4Å; H457-L522 WeakPolarHBondContact CE1-CD2 3.46Å; Y459-L522 HydrophobicContact CD1-CD2 4.22Å; F460-L522 HydrophobicContact CE2-CD1 4.2Å; F460-L522 HydrophobicContact CE2-CD2 3.67Å; F460-L522 HydrophobicContact CE2-CG 3.85Å; F460-L522 HydrophobicContact CZ-CD2 4.2Å; F460-L522 HydrophobicContact CZ-CG 4.33Å; A518-L522 WeakPolarHBondContact O-CG 3.43Å; A518-L522 PolarHBondContact O-N 3.33Å; A518-L522 VanDerWaalsContact O-N 3.14Å; L520-L522 PolarHBondContact O-N 3.12Å; L522-L600 HydrophobicContact CD1-CD1 3.89Å; L522-L600 HydrophobicContact CD1-CD2 4.3Å; L522-F604 HydrophobicContact CD1-CZ 3.99Å |
| 523 | H | 91.6 | Very high | 90.8 | Very high | 33 Ų | 33 | 20.4 Ų | 20.4 | 15% | 0.153 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120.5 | -7 | -176.4 | -62.7 | 93.9 | 0 | 0 | 0 | 114.1 | R412 G413 W416 S519 L520 L521 F604 | R412-H523 HydrophobicContact CB-CB 4.33Å; R412-H523 PolarHBondContact NH1-NE2 3.41Å; G413-H523 WeakPolarHBondContact CA-O 3.4Å; W416-H523 HydrophobicContact CE3-CB 4.43Å; W416-H523 AromaticContact CH2-CE1 3.84Å; W416-H523 AromaticContact CH2-ND1 3.59Å; W416-H523 HydrophobicContact CZ3-CB 4.13Å; W416-H523 AromaticContact CZ3-CG 3.99Å; W416-H523 AromaticContact CZ3-ND1 3.53Å; S519-H523 PolarHBondContact O-ND1 3.02Å; S519-H523 VanDerWaalsContact O-ND1 3.17Å; L520-H523 PolarHBondContact O-N 3.28Å; L521-H523 PolarHBondContact O-N 3.45Å; H523-F604 AromaticContact CE1-CD1 3.59Å; H523-F604 AromaticContact CE1-CD2 3.54Å; H523-F604 AromaticContact CE1-CE1 3.46Å; H523-F604 VanDerWaalsContact CE1-CE1 3.46Å; H523-F604 WeakPolarHBondContact CE1-CE1 3.46Å; H523-F604 AromaticContact CE1-CE2 3.38Å; H523-F604 WeakPolarHBondContact CE1-CE2 3.49Å; H523-F604 AromaticContact CE1-CG 3.64Å; H523-F604 AromaticContact CE1-CZ 3.34Å; H523-F604 WeakPolarHBondContact CE1-CZ 3.33Å; H523-F604 AromaticContact NE2-CD2 3.8Å; H523-F604 AromaticContact NE2-CE2 3.79Å |
| 524 | M | 91.3 | Very high | 91.2 | Very high | 11 Ų | 11 | 20.6 Ų | 20.6 | 5% | 0.054 | 10% | 0.102 | C | C | . | . | S | Bend | trans | -155.7 | 156.3 | -179.8 | 69.6 | -168.5 | 74.3 | 0 | 0 | 112.3 | W416 Q417 L520 R528 A529 V532 | W416-M524 HydrophobicContact CB-CE 4.2Å; W416-M524 HydrophobicContact CE3-CE 3.83Å; Q417-M524 HydrophobicContact CG-SD 4.17Å; L520-M524 HydrophobicContact CD2-CE 4.26Å; L520-M524 WeakPolarHBondContact O-CG 3.47Å; L520-M524 PolarHBondContact O-N 3.36Å; M524-R528 HydrophobicContact CB-CB 4.16Å; M524-R528 HydrophobicContact CG-CB 3.98Å; M524-R528 HydrophobicContact SD-CB 3.87Å; M524-A529 HydrophobicContact CG-CB 3.82Å; M524-A529 VanDerWaalsContact SD-CA 3.57Å; M524-A529 HydrophobicContact SD-CB 4.27Å; M524-A529 PolarHBondContact SD-N 2.85Å; M524-A529 VanDerWaalsContact SD-N 3.42Å; M524-V532 HydrophobicContact CE-CG2 4.11Å; M524-V532 HydrophobicContact SD-CB 4.32Å; M524-V532 HydrophobicContact SD-CG2 3.71Å |
| 525 | P | 89.8 | Confident | 91.3 | Very high | 83 Ų | 83 | 22.1 Ų | 22.1 | 54% | 0.539 | 11% | 0.107 | S | C | . | . | trans | -54.1 | 155.6 | 172.2 | -26.9 | 32.6 | 0 | 0 | 0 | 114.3 | E527 R528 A529 | P525-E527 PolarHBondContact O-N 3.29Å; P525-R528 PolarHBondContact O-N 2.82Å; P525-A529 PolarHBondContact O-N 3.2Å | ||
| 526 | E | 89.9 | Confident | 91.5 | Very high | 42 Ų | 42 | 21.5 Ų | 21.5 | 20% | 0.196 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -48.3 | -50.1 | -174.8 | -171.3 | -178.8 | 127.7 | 0 | 0 | 114.4 | Y432 A470 K473 I474 L521 R528 A529 F530 | Y432-E526 HydrophobicContact CE1-CG 4.07Å; Y432-E526 VanDerWaalsContact CE1-OE1 3.26Å; Y432-E526 WeakPolarHBondContact CE1-OE1 3.24Å; Y432-E526 VanDerWaalsContact OH-CD 3.32Å; Y432-E526 VanDerWaalsContact OH-CG 3.26Å; Y432-E526 WeakPolarHBondContact OH-CG 3.28Å; Y432-E526 PolarHBondContact OH-OE1 3.07Å; A470-E526 WeakPolarHBondContact CA-OE2 3.49Å; A470-E526 HydrophobicContact CB-CG 4.23Å; A470-E526 VanDerWaalsContact CB-OE2 3.26Å; A470-E526 WeakPolarHBondContact CB-OE2 3.38Å; K473-E526 WeakPolarHBondContact CB-OE1 3.24Å; K473-E526 WeakPolarHBondContact CD-OE1 3.24Å; I474-E526 HydrophobicContact CD1-CG 3.9Å; I474-E526 HydrophobicContact CG1-CG 3.62Å; L521-E526 HydrophobicContact CD1-CB 4.28Å; E526-R528 VanDerWaalsContact C-N 3.33Å; E526-R528 PolarHBondContact O-N 2.9Å; E526-A529 PolarHBondContact O-N 3.4Å; E526-F530 PolarHBondContact O-N 3.44Å |
| 527 | E | 88 | Confident | 91.3 | Very high | 59 Ų | 59 | 21.4 Ų | 21.4 | 28% | 0.276 | 10% | 0.104 | S | C | . | . | H | α-helix | trans | -62.2 | -38.3 | -179.8 | -58.4 | 170.5 | -158.9 | 0 | 0 | 113.3 | S429 Y432 Y433 P525 T531 | S429-E527 PolarHBondContact OG-OE2 2.94Å; Y432-E527 HydrophobicContact CD1-CG 3.91Å; Y432-E527 HydrophobicContact CE1-CG 4.43Å; Y433-E527 HydrophobicContact CE2-CG 4.1Å; Y433-E527 VanDerWaalsContact CE2-OE1 3.23Å; Y433-E527 WeakPolarHBondContact CE2-OE1 3.33Å; Y433-E527 PolarHBondContact OH-OE1 2.82Å; P525-E527 PolarHBondContact O-N 3.29Å; E527-T531 PolarHBondContact O-N 2.84Å; E527-T531 VanDerWaalsContact O-N 3.09Å; E527-T531 PolarHBondContact O-OG1 3.28Å |
| 528 | R | 89.9 | Confident | 91 | Very high | 111 Ų | 111 | 24.5 Ų | 24.5 | 42% | 0.419 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -74.1 | -40.6 | 180 | -67.1 | 175.9 | 178 | -166.3 | 2.8 | 109.8 | D414 Q417 M524 P525 E526 F530 T531 V532 | D414-R528 IonicContact OD1-NH1 3.59Å; Q417-R528 VanDerWaalsContact OE1-CD 3.28Å; M524-R528 HydrophobicContact CB-CB 4.16Å; M524-R528 HydrophobicContact CG-CB 3.98Å; M524-R528 HydrophobicContact SD-CB 3.87Å; P525-R528 PolarHBondContact O-N 2.82Å; E526-R528 VanDerWaalsContact C-N 3.33Å; E526-R528 PolarHBondContact O-N 2.9Å; R528-F530 VanDerWaalsContact C-N 3.34Å; R528-F530 PolarHBondContact O-N 3.29Å; R528-T531 WeakPolarHBondContact O-CB 3.48Å; R528-T531 PolarHBondContact O-N 2.75Å; R528-T531 VanDerWaalsContact O-N 3.11Å; R528-V532 WeakPolarHBondContact O-CG2 3.49Å; R528-V532 PolarHBondContact O-N 2.68Å |
| 529 | A | 92 | Very high | 90.9 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -59.7 | -44.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | I474 L520 L521 M524 P525 E526 T531 V532 L533 | I474-A529 HydrophobicContact CD1-CB 3.85Å; L520-A529 HydrophobicContact CB-CB 3.96Å; L521-A529 HydrophobicContact CB-CB 4.47Å; L521-A529 HydrophobicContact CD1-CB 4.47Å; M524-A529 HydrophobicContact CG-CB 3.82Å; M524-A529 VanDerWaalsContact SD-CA 3.57Å; M524-A529 HydrophobicContact SD-CB 4.27Å; M524-A529 PolarHBondContact SD-N 2.85Å; M524-A529 VanDerWaalsContact SD-N 3.42Å; P525-A529 PolarHBondContact O-N 3.2Å; E526-A529 PolarHBondContact O-N 3.4Å; A529-T531 PolarHBondContact O-N 2.93Å; A529-V532 PolarHBondContact O-N 2.87Å; A529-L533 VanDerWaalsContact O-CB 3.29Å; A529-L533 WeakPolarHBondContact O-CB 3.47Å; A529-L533 PolarHBondContact O-N 2.88Å |
| 530 | F | 90.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -56.8 | -47.2 | 171.5 | 167.9 | -101.2 | 0 | 0 | 0 | 112.2 | L428 Y432 L435 I474 A477 L481 E526 R528 V532 L533 V534 | L428-F530 HydrophobicContact CD1-CE1 3.73Å; L428-F530 HydrophobicContact CD1-CZ 4.17Å; L428-F530 HydrophobicContact CG-CD1 4.45Å; L428-F530 HydrophobicContact CG-CE1 3.9Å; Y432-F530 HydrophobicContact CD2-CB 3.75Å; Y432-F530 AromaticContact CD2-CD1 3.44Å; Y432-F530 HydrophobicContact CD2-CD1 3.44Å; Y432-F530 VanDerWaalsContact CD2-CD1 3.44Å; Y432-F530 AromaticContact CD2-CD2 3.83Å; Y432-F530 HydrophobicContact CD2-CD2 3.83Å; Y432-F530 AromaticContact CD2-CE1 3.89Å; Y432-F530 HydrophobicContact CD2-CE1 3.89Å; Y432-F530 HydrophobicContact CD2-CE2 4.24Å; Y432-F530 AromaticContact CD2-CG 3.38Å; Y432-F530 HydrophobicContact CD2-CG 3.38Å; Y432-F530 HydrophobicContact CD2-CZ 4.25Å; Y432-F530 HydrophobicContact CE2-CB 3.67Å; Y432-F530 HydrophobicContact CE2-CD1 4.19Å; Y432-F530 AromaticContact CE2-CD2 3.87Å; Y432-F530 HydrophobicContact CE2-CD2 3.87Å; Y432-F530 AromaticContact CE2-CG 3.65Å; Y432-F530 HydrophobicContact CE2-CG 3.65Å; Y432-F530 HydrophobicContact CG-CD1 4.23Å; Y432-F530 HydrophobicContact CG-CG 4.49Å; L435-F530 HydrophobicContact CD1-CE1 4.38Å; L435-F530 HydrophobicContact CD1-CE2 4.47Å; L435-F530 HydrophobicContact CD1-CZ 3.68Å; I474-F530 HydrophobicContact CG1-CB 4.43Å; I474-F530 HydrophobicContact CG2-CB 4.4Å; A477-F530 HydrophobicContact CB-CD2 3.95Å; A477-F530 HydrophobicContact CB-CE2 3.69Å; A477-F530 HydrophobicContact CB-CZ 4.31Å; L481-F530 HydrophobicContact CB-CZ 4.17Å; L481-F530 HydrophobicContact CD2-CE2 4.45Å; L481-F530 HydrophobicContact CD2-CZ 3.81Å; L481-F530 HydrophobicContact CG-CZ 4.49Å; E526-F530 PolarHBondContact O-N 3.44Å; R528-F530 VanDerWaalsContact C-N 3.34Å; R528-F530 PolarHBondContact O-N 3.29Å; F530-V532 PolarHBondContact O-N 2.69Å; F530-L533 WeakPolarHBondContact O-CB 3.49Å; F530-L533 PolarHBondContact O-N 3.44Å; F530-V534 HydrophobicContact CD2-CG2 4.19Å; F530-V534 HydrophobicContact CE1-CG2 4.28Å; F530-V534 HydrophobicContact CE2-CG2 3.85Å; F530-V534 HydrophobicContact CZ-CG2 3.92Å; F530-V534 VanDerWaalsContact O-CG2 3.26Å; F530-V534 WeakPolarHBondContact O-CG2 3.19Å; F530-V534 PolarHBondContact O-N 3.18Å |
| 531 | T | 89.9 | Confident | 90.7 | Very high | 8 Ų | 8 | 31.7 Ų | 31.7 | 5% | 0.049 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.9 | -46.4 | -179.1 | -57.3 | 0 | 0 | 0 | 0 | 111.4 | C422 V425 L428 E527 R528 A529 V534 R535 | C422-T531 HydrophobicContact CB-CG2 3.94Å; V425-T531 HydrophobicContact CG2-CG2 4.38Å; L428-T531 HydrophobicContact CB-CG2 4.39Å; L428-T531 HydrophobicContact CD2-CG2 3.88Å; L428-T531 HydrophobicContact CG-CG2 4.35Å; E527-T531 PolarHBondContact O-N 2.84Å; E527-T531 VanDerWaalsContact O-N 3.09Å; E527-T531 PolarHBondContact O-OG1 3.28Å; R528-T531 WeakPolarHBondContact O-CB 3.48Å; R528-T531 PolarHBondContact O-N 2.75Å; R528-T531 VanDerWaalsContact O-N 3.11Å; A529-T531 PolarHBondContact O-N 2.93Å; T531-V534 PolarHBondContact O-N 3.03Å; T531-R535 WeakPolarHBondContact O-CG 3.29Å; T531-R535 PolarHBondContact O-N 2.96Å; T531-R535 VanDerWaalsContact O-N 3.13Å |
| 532 | V | 92.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.9 | -42 | 177 | 177 | 0 | 0 | 0 | 0 | 111.1 | Q417 A420 C422 L520 M524 R528 A529 F530 V534 R535 I536 | Q417-V532 HydrophobicContact CG-CG2 3.82Å; A420-V532 HydrophobicContact CB-CG1 4.17Å; A420-V532 HydrophobicContact CB-CG2 4.42Å; C422-V532 VanDerWaalsContact SG-CG2 3.55Å; L520-V532 HydrophobicContact CD1-CB 4.21Å; L520-V532 HydrophobicContact CD1-CG1 4.05Å; L520-V532 HydrophobicContact CD2-CB 4.31Å; L520-V532 HydrophobicContact CD2-CG1 3.65Å; M524-V532 HydrophobicContact CE-CG2 4.11Å; M524-V532 HydrophobicContact SD-CB 4.32Å; M524-V532 HydrophobicContact SD-CG2 3.71Å; R528-V532 WeakPolarHBondContact O-CG2 3.49Å; R528-V532 PolarHBondContact O-N 2.68Å; A529-V532 PolarHBondContact O-N 2.87Å; F530-V532 PolarHBondContact O-N 2.69Å; V532-V534 PolarHBondContact O-N 2.86Å; V532-R535 WeakPolarHBondContact O-CB 3.08Å; V532-R535 PolarHBondContact O-N 3.47Å; V532-R535 VanDerWaalsContact O-N 3.12Å; V532-I536 HydrophobicContact CG1-CD1 4.04Å; V532-I536 HydrophobicContact CG1-CG1 4.44Å; V532-I536 WeakPolarHBondContact O-CG1 3.48Å; V532-I536 PolarHBondContact O-N 3.49Å |
| 533 | L | 91.4 | Very high | 90.4 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58.4 | -46.2 | 178.1 | -177.9 | 63.8 | 0 | 0 | 0 | 111.8 | I474 S478 L513 L516 A517 L520 A529 F530 R535 I536 M537 | I474-L533 HydrophobicContact CG2-CD2 3.8Å; S478-L533 WeakPolarHBondContact OG-CD2 3.39Å; L513-L533 HydrophobicContact CD1-CD1 3.81Å; L513-L533 HydrophobicContact CD2-CD2 4.39Å; L513-L533 HydrophobicContact CG-CD1 4.23Å; L513-L533 HydrophobicContact CG-CD2 4.41Å; L516-L533 HydrophobicContact CB-CD1 4.36Å; L516-L533 HydrophobicContact CD2-CD1 3.68Å; L516-L533 HydrophobicContact CG-CD1 3.87Å; A517-L533 HydrophobicContact CB-CD2 3.99Å; L520-L533 HydrophobicContact CD1-CB 3.87Å; L520-L533 HydrophobicContact CD1-CD1 4.31Å; A529-L533 VanDerWaalsContact O-CB 3.29Å; A529-L533 WeakPolarHBondContact O-CB 3.47Å; A529-L533 PolarHBondContact O-N 2.88Å; F530-L533 WeakPolarHBondContact O-CB 3.49Å; F530-L533 PolarHBondContact O-N 3.44Å; L533-R535 VanDerWaalsContact C-N 3.31Å; L533-R535 PolarHBondContact O-N 3.09Å; L533-I536 PolarHBondContact O-N 3.01Å; L533-M537 WeakPolarHBondContact O-CG 3.48Å; L533-M537 PolarHBondContact O-N 3.29Å |
| 534 | V | 90 | Very high | 90.3 | Very high | 8 Ų | 8 | 31 Ų | 31 | 5% | 0.048 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.7 | -39.9 | 176.4 | 172.6 | 0 | 0 | 0 | 0 | 111.1 | L428 L481 F482 F530 T531 V532 M537 Y538 | L428-V534 HydrophobicContact CD1-CG1 4.26Å; L428-V534 HydrophobicContact CD1-CG2 4.46Å; L428-V534 HydrophobicContact CD2-CB 3.69Å; L428-V534 HydrophobicContact CD2-CG1 3.61Å; L428-V534 HydrophobicContact CD2-CG2 4.17Å; L481-V534 HydrophobicContact CD2-CB 4.16Å; L481-V534 HydrophobicContact CD2-CG1 3.55Å; L481-V534 HydrophobicContact CD2-CG2 3.43Å; L481-V534 VanDerWaalsContact CD2-CG2 3.43Å; F482-V534 HydrophobicContact CE1-CG2 4.02Å; F530-V534 HydrophobicContact CD2-CG2 4.19Å; F530-V534 HydrophobicContact CE1-CG2 4.28Å; F530-V534 HydrophobicContact CE2-CG2 3.85Å; F530-V534 HydrophobicContact CZ-CG2 3.92Å; F530-V534 VanDerWaalsContact O-CG2 3.26Å; F530-V534 WeakPolarHBondContact O-CG2 3.19Å; F530-V534 PolarHBondContact O-N 3.18Å; T531-V534 PolarHBondContact O-N 3.03Å; V532-V534 PolarHBondContact O-N 2.86Å; V534-M537 PolarHBondContact O-N 3.19Å; V534-Y538 HydrophobicContact CG1-CD2 4.06Å; V534-Y538 WeakPolarHBondContact O-CD2 3.45Å; V534-Y538 PolarHBondContact O-N 2.98Å |
| 535 | R | 91.3 | Very high | 90.2 | Very high | 31 Ų | 31 | 30.5 Ų | 30.5 | 12% | 0.117 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.5 | -44.5 | 174.9 | -69.6 | -66.8 | -67.7 | -171.4 | -14.7 | 111.2 | A420 E424 V425 T531 V532 L533 M537 Y538 H539 Y540 | A420-R535 HydrophobicContact CB-CB 4.11Å; A420-R535 PolarHBondContact O-NE 2.91Å; A420-R535 PolarHBondContact O-NH2 3.44Å; A420-R535 VanDerWaalsContact O-NH2 3.13Å; E424-R535 IonicContact OE2-CZ 2.69Å; E424-R535 IonicContact OE2-NH1 3.95Å; E424-R535 IonicContact OE2-NH2 2.71Å; E424-R535 PolarHBondContact OE2-NH2 2.97Å; V425-R535 HydrophobicContact CG2-CG 4.43Å; T531-R535 WeakPolarHBondContact O-CG 3.29Å; T531-R535 PolarHBondContact O-N 2.96Å; T531-R535 VanDerWaalsContact O-N 3.13Å; V532-R535 WeakPolarHBondContact O-CB 3.08Å; V532-R535 PolarHBondContact O-N 3.47Å; V532-R535 VanDerWaalsContact O-N 3.12Å; L533-R535 VanDerWaalsContact C-N 3.31Å; L533-R535 PolarHBondContact O-N 3.09Å; R535-M537 VanDerWaalsContact C-N 3.28Å; R535-M537 PolarHBondContact O-N 2.78Å; R535-Y538 PolarHBondContact O-N 2.92Å; R535-H539 PolarHBondContact NH2-CD2 2.83Å; R535-H539 WeakPolarHBondContact O-CA 3.35Å; R535-H539 VanDerWaalsContact O-CB 3.24Å; R535-H539 WeakPolarHBondContact O-CB 3.48Å; R535-H539 PolarHBondContact O-N 2.93Å; R535-Y540 PolarHBondContact O-N 3.02Å |
| 536 | I | 92.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -58 | -43.1 | 173.9 | -68.2 | 168.2 | 0 | 0 | 0 | 111 | L516 L520 V532 L533 Y540 L542 L593 F610 L611 | L516-I536 HydrophobicContact CD1-CD1 4.3Å; L516-I536 HydrophobicContact CD2-CD1 4.24Å; L516-I536 HydrophobicContact CD2-CG2 3.91Å; L520-I536 HydrophobicContact CD1-CD1 4.27Å; L520-I536 HydrophobicContact CD2-CD1 4.5Å; V532-I536 HydrophobicContact CG1-CD1 4.04Å; V532-I536 HydrophobicContact CG1-CG1 4.44Å; V532-I536 WeakPolarHBondContact O-CG1 3.48Å; V532-I536 PolarHBondContact O-N 3.49Å; L533-I536 PolarHBondContact O-N 3.01Å; I536-Y540 WeakPolarHBondContact O-CB 3.42Å; I536-L542 HydrophobicContact CG2-CB 4.01Å; I536-L542 HydrophobicContact CG2-CD2 3.69Å; I536-L542 HydrophobicContact CG2-CG 4.46Å; I536-L542 WeakPolarHBondContact O-CB 3.39Å; I536-L542 PolarHBondContact O-N 2.87Å; I536-L593 HydrophobicContact CG2-CD1 4.21Å; I536-F610 HydrophobicContact CG1-CE1 4.37Å; I536-F610 HydrophobicContact CG2-CE1 3.85Å; I536-F610 HydrophobicContact CG2-CZ 4.36Å; I536-L611 HydrophobicContact CD1-CD2 4.15Å; I536-L611 HydrophobicContact CG1-CD2 3.81Å |
| 537 | M | 88.7 | Confident | 89.4 | Confident | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.005 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -68 | -44.4 | -178.6 | -69.4 | -61.9 | -81.7 | 0 | 0 | 113.1 | F482 L513 L533 V534 R535 L542 R543 F546 | F482-M537 HydrophobicContact CE1-CB 4.21Å; F482-M537 HydrophobicContact CE1-CG 4.41Å; F482-M537 HydrophobicContact CE2-CE 4.19Å; F482-M537 HydrophobicContact CE2-CG 4.23Å; F482-M537 HydrophobicContact CZ-CB 3.98Å; F482-M537 HydrophobicContact CZ-CG 3.69Å; L513-M537 HydrophobicContact CD1-CE 4.2Å; L513-M537 HydrophobicContact CD1-CG 4.41Å; L513-M537 HydrophobicContact CD1-SD 3.79Å; L533-M537 WeakPolarHBondContact O-CG 3.48Å; L533-M537 PolarHBondContact O-N 3.29Å; V534-M537 PolarHBondContact O-N 3.19Å; R535-M537 VanDerWaalsContact C-N 3.28Å; R535-M537 PolarHBondContact O-N 2.78Å; M537-L542 PolarHBondContact O-N 3.09Å; M537-L542 HydrophobicContact SD-CB 4Å; M537-L542 HydrophobicContact SD-CD2 3.97Å; M537-L542 HydrophobicContact SD-CG 4.2Å; M537-R543 HydrophobicContact CB-CB 4.32Å; M537-R543 HydrophobicContact CE-CB 3.76Å; M537-R543 WeakPolarHBondContact O-CB 3.36Å; M537-R543 WeakPolarHBondContact O-CD 3.36Å; M537-R543 WeakPolarHBondContact O-CG 3.48Å; M537-R543 PolarHBondContact O-N 2.87Å; M537-R543 VanDerWaalsContact O-N 3.17Å; M537-R543 HydrophobicContact SD-CB 4.47Å; M537-F546 HydrophobicContact CE-CD2 4.47Å; M537-F546 HydrophobicContact CE-CE2 4.41Å |
| 538 | Y | 86.8 | Confident | 88.9 | Confident | 66 Ų | 66 | 30 Ų | 30 | 26% | 0.259 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -96.2 | -53.4 | -174.7 | -77 | -98.9 | 0 | 0 | 0 | 113.8 | F482 L485 V534 R535 G541 | F482-Y538 WeakPolarHBondContact CA-OH 3.45Å; F482-Y538 AromaticContact CD1-CE2 3.48Å; F482-Y538 HydrophobicContact CD1-CE2 3.48Å; F482-Y538 VanDerWaalsContact CD1-CE2 3.48Å; F482-Y538 HydrophobicContact CE1-CD2 4.3Å; F482-Y538 AromaticContact CE1-CE2 3.66Å; F482-Y538 HydrophobicContact CE1-CE2 3.66Å; F482-Y538 HydrophobicContact CG-CE2 4.47Å; L485-Y538 HydrophobicContact CB-CE1 4.03Å; L485-Y538 WeakPolarHBondContact CB-OH 3.41Å; L485-Y538 HydrophobicContact CD1-CD1 4.42Å; L485-Y538 HydrophobicContact CD1-CD2 4.37Å; L485-Y538 HydrophobicContact CD1-CE1 3.85Å; L485-Y538 HydrophobicContact CD1-CE2 3.82Å; V534-Y538 HydrophobicContact CG1-CD2 4.06Å; V534-Y538 WeakPolarHBondContact O-CD2 3.45Å; V534-Y538 PolarHBondContact O-N 2.98Å; R535-Y538 PolarHBondContact O-N 2.92Å; Y538-G541 PolarHBondContact O-N 3.36Å |
| 539 | H | 90.1 | Very high | 88.1 | Confident | 110 Ų | 110 | 27.6 Ų | 27.6 | 51% | 0.509 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73 | -37.9 | -174.5 | 178.9 | -89.5 | 0 | 0 | 0 | 111.7 | R535 | R535-H539 PolarHBondContact NH2-CD2 2.83Å; R535-H539 WeakPolarHBondContact O-CA 3.35Å; R535-H539 VanDerWaalsContact O-CB 3.24Å; R535-H539 WeakPolarHBondContact O-CB 3.48Å; R535-H539 PolarHBondContact O-N 2.93Å |
| 540 | Y | 93.1 | Very high | 87.8 | Confident | 28 Ų | 28 | 31.8 Ų | 31.8 | 11% | 0.11 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -90.3 | -3.3 | 176.6 | -66.4 | -102.4 | 0 | 0 | 0 | 113.2 | L419 R535 I536 L542 F610 L611 M615 | L419-Y540 PolarHBondContact O-OH 3.13Å; R535-Y540 PolarHBondContact O-N 3.02Å; I536-Y540 WeakPolarHBondContact O-CB 3.42Å; Y540-L542 VanDerWaalsContact C-N 3.33Å; Y540-L542 PolarHBondContact O-N 2.96Å; Y540-F610 HydrophobicContact CD1-CD1 4.25Å; Y540-F610 AromaticContact CD1-CE1 3.74Å; Y540-F610 HydrophobicContact CD1-CE1 3.74Å; Y540-F610 HydrophobicContact CD1-CZ 4.19Å; Y540-F610 WeakPolarHBondContact CE1-O 3.46Å; Y540-F610 AromaticContact CG-CE1 3.82Å; Y540-F610 HydrophobicContact CG-CE1 3.82Å; Y540-F610 HydrophobicContact CG-CZ 4.27Å; Y540-L611 HydrophobicContact CE1-CD2 4.41Å; Y540-L611 HydrophobicContact CE2-CD2 4.01Å; Y540-L611 PolarHBondContact OH-O 3.4Å; Y540-M615 WeakPolarHBondContact O-CE 3.27Å |
| 541 | G | 90.4 | Very high | 87.7 | Confident | 14 Ų | 14 | 37.3 Ų | 37.3 | 14% | 0.144 | 19% | 0.19 | C | C | . | . | trans | 71.9 | 17.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y538 R543 D544 | Y538-G541 PolarHBondContact O-N 3.36Å; G541-R543 PolarHBondContact O-N 3.04Å; G541-D544 WeakPolarHBondContact O-CB 3.36Å; G541-D544 PolarHBondContact O-N 2.69Å; G541-D544 VanDerWaalsContact O-N 3.13Å | ||
| 542 | L | 91.1 | Very high | 87.8 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -61.4 | -31.6 | -179.5 | -167.6 | 70.7 | 0 | 0 | 0 | 111.9 | L516 I536 M537 Y540 D544 L545 L593 M615 | L516-L542 HydrophobicContact CD2-CD2 3.89Å; I536-L542 HydrophobicContact CG2-CB 4.01Å; I536-L542 HydrophobicContact CG2-CD2 3.69Å; I536-L542 HydrophobicContact CG2-CG 4.46Å; I536-L542 WeakPolarHBondContact O-CB 3.39Å; I536-L542 PolarHBondContact O-N 2.87Å; M537-L542 PolarHBondContact O-N 3.09Å; M537-L542 HydrophobicContact SD-CB 4Å; M537-L542 HydrophobicContact SD-CD2 3.97Å; M537-L542 HydrophobicContact SD-CG 4.2Å; Y540-L542 VanDerWaalsContact C-N 3.33Å; Y540-L542 PolarHBondContact O-N 2.96Å; L542-D544 PolarHBondContact O-N 3.44Å; L542-L545 HydrophobicContact CD1-CD1 3.75Å; L542-L545 WeakPolarHBondContact O-CB 3.43Å; L542-L545 PolarHBondContact O-N 3.22Å; L542-L593 HydrophobicContact CD1-CD2 3.96Å; L542-L593 HydrophobicContact CD1-CG 4.17Å; L542-L593 HydrophobicContact CD2-CD1 4.14Å; L542-L593 HydrophobicContact CD2-CG 4.2Å; L542-M615 HydrophobicContact CB-CE 4.49Å; L542-M615 HydrophobicContact CD1-CE 4.3Å; L542-M615 HydrophobicContact CD1-SD 4.47Å |
| 543 | R | 87.9 | Confident | 87.8 | Confident | 22 Ų | 22 | 38.9 Ų | 38.9 | 8% | 0.083 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -62.5 | -26.2 | 178 | 75.2 | -176.2 | -67.8 | -91.6 | -12.4 | 113.9 | M537 G541 L545 F546 | M537-R543 HydrophobicContact CB-CB 4.32Å; M537-R543 HydrophobicContact CE-CB 3.76Å; M537-R543 WeakPolarHBondContact O-CB 3.36Å; M537-R543 WeakPolarHBondContact O-CD 3.36Å; M537-R543 WeakPolarHBondContact O-CG 3.48Å; M537-R543 PolarHBondContact O-N 2.87Å; M537-R543 VanDerWaalsContact O-N 3.17Å; M537-R543 HydrophobicContact SD-CB 4.47Å; G541-R543 PolarHBondContact O-N 3.04Å; R543-L545 PolarHBondContact O-N 2.79Å; R543-F546 PolarHBondContact O-N 2.95Å; R543-F546 VanDerWaalsContact O-N 3.11Å |
| 544 | D | 89.1 | Confident | 87.9 | Confident | 56 Ų | 56 | 43.2 Ų | 43.2 | 30% | 0.299 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -68.5 | -20.9 | -175.5 | -61.5 | -31.9 | 0 | 0 | 0 | 111.8 | G541 L542 F546 K547 T552 | G541-D544 WeakPolarHBondContact O-CB 3.36Å; G541-D544 PolarHBondContact O-N 2.69Å; G541-D544 VanDerWaalsContact O-N 3.13Å; L542-D544 PolarHBondContact O-N 3.44Å; D544-F546 PolarHBondContact O-N 3.25Å; D544-K547 VanDerWaalsContact OD1-CE 3.23Å; D544-K547 WeakPolarHBondContact OD1-CE 3.29Å; D544-K547 IonicContact OD1-NZ 3.76Å; D544-K547 PolarHBondContact OD1-NZ 3.29Å; D544-T552 HydrophobicContact CB-CG2 4.33Å; D544-T552 WeakPolarHBondContact O-CB 3.35Å; D544-T552 PolarHBondContact O-OG1 2.71Å |
| 545 | L | 89.3 | Confident | 88.2 | Confident | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -66.4 | -23.5 | 173.8 | -57.8 | 179.3 | 0 | 0 | 0 | 113.2 | L542 R543 F550 T552 L553 R556 F590 L591 | L542-L545 HydrophobicContact CD1-CD1 3.75Å; L542-L545 WeakPolarHBondContact O-CB 3.43Å; L542-L545 PolarHBondContact O-N 3.22Å; R543-L545 PolarHBondContact O-N 2.79Å; L545-F550 VanDerWaalsContact O-CD1 3.26Å; L545-F550 WeakPolarHBondContact O-CD1 3.38Å; L545-T552 HydrophobicContact CD2-CG2 3.99Å; L545-L553 HydrophobicContact CB-CB 4.49Å; L545-R556 HydrophobicContact CD2-CG 3.7Å; L545-F590 HydrophobicContact CD1-CB 4.2Å; L545-L591 HydrophobicContact CB-CD2 3.83Å; L545-L591 HydrophobicContact CD1-CD2 4.45Å |
| 546 | F | 83.1 | Confident | 88.4 | Confident | 24 Ų | 24 | 43.9 Ų | 43.9 | 11% | 0.105 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -98.6 | -8.2 | -174.9 | -61.5 | -89.2 | 0 | 0 | 0 | 113.7 | V507 C510 M537 R543 D544 F550 L591 | V507-F546 HydrophobicContact CG1-CB 3.79Å; V507-F546 HydrophobicContact CG1-CG 4.44Å; V507-F546 HydrophobicContact CG2-CB 4.39Å; C510-F546 HydrophobicContact CB-CD1 3.54Å; C510-F546 HydrophobicContact CB-CD2 4.42Å; C510-F546 HydrophobicContact CB-CE1 3.35Å; C510-F546 HydrophobicContact CB-CE2 4.26Å; C510-F546 HydrophobicContact CB-CG 4.07Å; C510-F546 HydrophobicContact CB-CZ 3.73Å; C510-F546 VanDerWaalsContact SG-CD1 3.57Å; C510-F546 WeakPolarHBondContact SG-CG 3.34Å; M537-F546 HydrophobicContact CE-CD2 4.47Å; M537-F546 HydrophobicContact CE-CE2 4.41Å; R543-F546 PolarHBondContact O-N 2.95Å; R543-F546 VanDerWaalsContact O-N 3.11Å; D544-F546 PolarHBondContact O-N 3.25Å; F546-F550 HydrophobicContact CD1-CE1 4.07Å; F546-L591 HydrophobicContact CD1-CD2 4.01Å; F546-L591 HydrophobicContact CD2-CD2 4.44Å; F546-L591 HydrophobicContact CE1-CB 4.1Å; F546-L591 HydrophobicContact CE1-CD1 4.24Å; F546-L591 HydrophobicContact CE1-CD2 3.61Å; F546-L591 HydrophobicContact CE1-CG 4.19Å; F546-L591 HydrophobicContact CE2-CD2 4.09Å; F546-L591 HydrophobicContact CG-CD2 4.42Å; F546-L591 HydrophobicContact CZ-CB 3.92Å; F546-L591 HydrophobicContact CZ-CD2 3.68Å; F546-L591 HydrophobicContact CZ-CG 4.32Å |
| 547 | K | 79.8 | Confident | 88.6 | Confident | 39 Ų | 39 | 44.4 Ų | 44.4 | 17% | 0.17 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -80.9 | 162.7 | -176.9 | -64.3 | -180 | -178.7 | 168.3 | 0 | 112.3 | V507 D544 G549 F550 | V507-K547 HydrophobicContact CG2-CG 3.68Å; D544-K547 VanDerWaalsContact OD1-CE 3.23Å; D544-K547 WeakPolarHBondContact OD1-CE 3.29Å; D544-K547 IonicContact OD1-NZ 3.76Å; D544-K547 PolarHBondContact OD1-NZ 3.29Å; K547-G549 VanDerWaalsContact C-N 3.32Å; K547-G549 PolarHBondContact O-N 2.85Å; K547-F550 WeakPolarHBondContact O-CA 3.29Å; K547-F550 PolarHBondContact O-N 2.66Å |
| 548 | Q | 77.1 | Confident | 89 | Confident | 110 Ų | 110 | 45.5 Ų | 45.5 | 51% | 0.514 | 23% | 0.228 | S | C | . | . | G | 310 helix | trans | 50 | 46.9 | 163.4 | -63.2 | 171.9 | 3.3 | 0 | 0 | 113.2 | E506 F550 E551 | E506-Q548 WeakPolarHBondContact OE1-CG 3.23Å; Q548-F550 VanDerWaalsContact C-N 3.26Å; Q548-F550 PolarHBondContact O-N 2.97Å; Q548-E551 HydrophobicContact CB-CB 4.44Å; Q548-E551 HydrophobicContact CB-CG 4.47Å; Q548-E551 WeakPolarHBondContact O-CG 3.27Å; Q548-E551 PolarHBondContact O-N 2.98Å |
| 549 | G | 74.1 | Confident | 89.5 | Confident | 61 Ų | 61 | 42.3 Ų | 42.3 | 63% | 0.629 | 22% | 0.216 | S | C | * | . | G | 310 helix | trans | 61.2 | 32.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | K547 | K547-G549 VanDerWaalsContact C-N 3.32Å; K547-G549 PolarHBondContact O-N 2.85Å |
| 550 | F | 85.8 | Confident | 89.8 | Confident | 88 Ų | 88 | 37.1 Ų | 37.1 | 39% | 0.386 | 19% | 0.192 | S | C | . | . | G | 310 helix | trans | 69.8 | 25.8 | 177.9 | -55.2 | -85.6 | 0 | 0 | 0 | 115.1 | L545 F546 K547 Q548 T552 L553 H554 L591 | L545-F550 VanDerWaalsContact O-CD1 3.26Å; L545-F550 WeakPolarHBondContact O-CD1 3.38Å; F546-F550 HydrophobicContact CD1-CE1 4.07Å; K547-F550 WeakPolarHBondContact O-CA 3.29Å; K547-F550 PolarHBondContact O-N 2.66Å; Q548-F550 VanDerWaalsContact C-N 3.26Å; Q548-F550 PolarHBondContact O-N 2.97Å; F550-T552 PolarHBondContact O-N 3.16Å; F550-L553 HydrophobicContact CB-CB 4.05Å; F550-L553 HydrophobicContact CB-CD2 4.16Å; F550-L553 HydrophobicContact CD1-CD2 3.9Å; F550-L553 HydrophobicContact CG-CD2 4.34Å; F550-L553 WeakPolarHBondContact O-CA 3.48Å; F550-L553 WeakPolarHBondContact O-CB 3.33Å; F550-L553 PolarHBondContact O-N 3.13Å; F550-H554 PolarHBondContact O-CD2 2.99Å; F550-H554 PolarHBondContact O-N 2.99Å; F550-L591 HydrophobicContact CE1-CD1 4.38Å |
| 551 | E | 87.7 | Confident | 90 | Very high | 116 Ų | 116 | 37.9 Ų | 37.9 | 54% | 0.542 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -52.8 | -48.6 | 179.3 | -85.2 | -177.4 | -161.8 | 0 | 0 | 113.3 | Q548 L553 H554 L555 | Q548-E551 HydrophobicContact CB-CB 4.44Å; Q548-E551 HydrophobicContact CB-CG 4.47Å; Q548-E551 WeakPolarHBondContact O-CG 3.27Å; Q548-E551 PolarHBondContact O-N 2.98Å; E551-L553 VanDerWaalsContact C-N 3.28Å; E551-L553 PolarHBondContact O-N 3.36Å; E551-H554 PolarHBondContact O-N 3.42Å; E551-L555 PolarHBondContact O-N 2.95Å |
| 552 | T | 91.5 | Very high | 90.2 | Very high | 35 Ų | 35 | 41.9 Ų | 41.9 | 22% | 0.215 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.9 | -36.1 | 177.7 | -46 | 0 | 0 | 0 | 0 | 111.8 | D544 L545 F550 L555 R556 | D544-T552 HydrophobicContact CB-CG2 4.33Å; D544-T552 WeakPolarHBondContact O-CB 3.35Å; D544-T552 PolarHBondContact O-OG1 2.71Å; L545-T552 HydrophobicContact CD2-CG2 3.99Å; F550-T552 PolarHBondContact O-N 3.16Å; T552-L555 WeakPolarHBondContact O-CB 3.42Å; T552-L555 PolarHBondContact O-N 3.34Å; T552-R556 WeakPolarHBondContact O-CG 3.39Å; T552-R556 PolarHBondContact O-N 3.11Å |
| 553 | L | 92.7 | Very high | 90.5 | Very high | 6 Ų | 6 | 41.9 Ų | 41.9 | 3% | 0.031 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67 | -42.7 | 177 | 179.8 | 68.7 | 0 | 0 | 0 | 111 | L545 F550 E551 L555 R556 F557 F590 L591 | L545-L553 HydrophobicContact CB-CB 4.49Å; F550-L553 HydrophobicContact CB-CB 4.05Å; F550-L553 HydrophobicContact CB-CD2 4.16Å; F550-L553 HydrophobicContact CD1-CD2 3.9Å; F550-L553 HydrophobicContact CG-CD2 4.34Å; F550-L553 WeakPolarHBondContact O-CA 3.48Å; F550-L553 WeakPolarHBondContact O-CB 3.33Å; F550-L553 PolarHBondContact O-N 3.13Å; E551-L553 VanDerWaalsContact C-N 3.28Å; E551-L553 PolarHBondContact O-N 3.36Å; L553-L555 VanDerWaalsContact C-N 3.3Å; L553-L555 PolarHBondContact O-N 3.32Å; L553-R556 CarbonylContact O-C 3.6Å; L553-R556 WeakPolarHBondContact O-CA 3.34Å; L553-R556 WeakPolarHBondContact O-CB 3.11Å; L553-R556 PolarHBondContact O-N 3.22Å; L553-F557 HydrophobicContact CD1-CE1 3.72Å; L553-F557 HydrophobicContact CD1-CE2 4.41Å; L553-F557 HydrophobicContact CD1-CZ 3.67Å; L553-F557 HydrophobicContact CD2-CE2 3.96Å; L553-F557 HydrophobicContact CD2-CZ 3.65Å; L553-F557 HydrophobicContact CG-CD2 4.46Å; L553-F557 HydrophobicContact CG-CE1 3.95Å; L553-F557 HydrophobicContact CG-CE2 3.71Å; L553-F557 HydrophobicContact CG-CZ 3.42Å; L553-F557 VanDerWaalsContact CG-CZ 3.42Å; L553-F557 WeakPolarHBondContact O-CG 3.31Å; L553-F557 PolarHBondContact O-N 2.9Å; L553-F590 HydrophobicContact CD1-CB 3.58Å; L553-F590 HydrophobicContact CD1-CG 4.11Å; L553-L591 HydrophobicContact CD1-CD2 4.1Å; L553-L591 HydrophobicContact CD1-CG 4.33Å; L553-L591 HydrophobicContact CD2-CD1 4.12Å; L553-L591 HydrophobicContact CD2-CD2 4Å; L553-L591 HydrophobicContact CD2-CG 4.14Å |
| 554 | H | 93.5 | Very high | 90.9 | Very high | 92 Ų | 92 | 41 Ų | 41 | 43% | 0.426 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -61 | -39.2 | 174.1 | -73.6 | -62.9 | 0 | 0 | 0 | 112.2 | F550 E551 R556 F557 F558 F683 | F550-H554 PolarHBondContact O-CD2 2.99Å; F550-H554 PolarHBondContact O-N 2.99Å; E551-H554 PolarHBondContact O-N 3.42Å; H554-R556 VanDerWaalsContact C-N 3.33Å; H554-R556 PolarHBondContact O-N 2.96Å; H554-F557 AromaticContact ND1-CD2 3.98Å; H554-F557 PolarHBondContact O-N 3.44Å; H554-F558 PolarHBondContact O-N 3.27Å; H554-F683 HydrophobicContact CB-CZ 4.17Å |
| 555 | L | 95.8 | Very high | 91.2 | Very high | 13 Ų | 13 | 42.9 Ų | 42.9 | 7% | 0.068 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58.2 | -44.9 | 169.5 | 164.3 | 64 | 0 | 0 | 0 | 111.3 | E551 T552 L553 F557 F558 Q559 E680 F683 | E551-L555 PolarHBondContact O-N 2.95Å; T552-L555 WeakPolarHBondContact O-CB 3.42Å; T552-L555 PolarHBondContact O-N 3.34Å; L553-L555 VanDerWaalsContact C-N 3.3Å; L553-L555 PolarHBondContact O-N 3.32Å; L555-F557 VanDerWaalsContact C-N 3.32Å; L555-F557 PolarHBondContact O-N 2.99Å; L555-F558 PolarHBondContact O-N 3.23Å; L555-Q559 HydrophobicContact CD1-CG 4.16Å; L555-Q559 WeakPolarHBondContact O-CG 3.19Å; L555-Q559 PolarHBondContact O-N 2.94Å; L555-E680 HydrophobicContact CD1-CB 3.91Å; L555-E680 HydrophobicContact CD1-CG 4.04Å; L555-E680 HydrophobicContact CD2-CB 4.37Å; L555-E680 HydrophobicContact CD2-CG 3.76Å; L555-F683 HydrophobicContact CB-CD1 3.86Å; L555-F683 HydrophobicContact CB-CE1 3.84Å; L555-F683 HydrophobicContact CB-CG 4.46Å; L555-F683 HydrophobicContact CB-CZ 4.42Å; L555-F683 HydrophobicContact CD1-CB 3.73Å; L555-F683 HydrophobicContact CD1-CD1 3.76Å; L555-F683 HydrophobicContact CD1-CG 3.85Å; L555-F683 HydrophobicContact CG-CD1 4.37Å |
| 556 | R | 96.3 | Very high | 91.5 | Very high | 40 Ų | 40 | 47.6 Ų | 47.6 | 15% | 0.151 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.6 | -38.1 | 176.8 | -61.5 | -42.8 | 178.1 | -174.8 | -4.6 | 112.2 | L545 T552 L553 H554 Q559 L560 F590 F619 | L545-R556 HydrophobicContact CD2-CG 3.7Å; T552-R556 WeakPolarHBondContact O-CG 3.39Å; T552-R556 PolarHBondContact O-N 3.11Å; L553-R556 CarbonylContact O-C 3.6Å; L553-R556 WeakPolarHBondContact O-CA 3.34Å; L553-R556 WeakPolarHBondContact O-CB 3.11Å; L553-R556 PolarHBondContact O-N 3.22Å; H554-R556 VanDerWaalsContact C-N 3.33Å; H554-R556 PolarHBondContact O-N 2.96Å; R556-Q559 PolarHBondContact O-N 3Å; R556-L560 PolarHBondContact O-N 3.35Å; R556-F590 HydrophobicContact CB-CD1 3.9Å; R556-F590 HydrophobicContact CB-CE1 3.64Å; R556-F590 HydrophobicContact CB-CZ 4.04Å; R556-F590 HydrophobicContact CG-CD1 4.14Å; R556-F590 HydrophobicContact CG-CE1 4.1Å; R556-F619 HydrophobicContact CB-CZ 4.14Å; R556-F619 HydrophobicContact CG-CZ 4.44Å; R556-F619 WeakPolarHBondContact O-CE1 3.26Å |
| 557 | F | 96.4 | Very high | 92.1 | Very high | 11 Ų | 11 | 49.5 Ų | 49.5 | 5% | 0.048 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62 | -46.5 | 174.2 | -61.2 | -27.9 | 0 | 0 | 0 | 111.9 | L553 H554 L555 Q559 L560 D561 T582 H583 A586 S587 F590 | L553-F557 HydrophobicContact CD1-CE1 3.72Å; L553-F557 HydrophobicContact CD1-CE2 4.41Å; L553-F557 HydrophobicContact CD1-CZ 3.67Å; L553-F557 HydrophobicContact CD2-CE2 3.96Å; L553-F557 HydrophobicContact CD2-CZ 3.65Å; L553-F557 HydrophobicContact CG-CD2 4.46Å; L553-F557 HydrophobicContact CG-CE1 3.95Å; L553-F557 HydrophobicContact CG-CE2 3.71Å; L553-F557 HydrophobicContact CG-CZ 3.42Å; L553-F557 VanDerWaalsContact CG-CZ 3.42Å; L553-F557 WeakPolarHBondContact O-CG 3.31Å; L553-F557 PolarHBondContact O-N 2.9Å; H554-F557 AromaticContact ND1-CD2 3.98Å; H554-F557 PolarHBondContact O-N 3.44Å; L555-F557 VanDerWaalsContact C-N 3.32Å; L555-F557 PolarHBondContact O-N 2.99Å; F557-Q559 VanDerWaalsContact C-N 3.28Å; F557-Q559 PolarHBondContact O-N 3.01Å; F557-L560 PolarHBondContact O-N 2.77Å; F557-L560 VanDerWaalsContact O-N 3.09Å; F557-D561 PolarHBondContact O-N 2.71Å; F557-T582 HydrophobicContact CB-CG2 3.79Å; F557-T582 HydrophobicContact CD1-CG2 3.61Å; F557-T582 HydrophobicContact CE1-CG2 4.45Å; F557-T582 HydrophobicContact CG-CG2 3.91Å; F557-H583 HydrophobicContact CD2-CB 3.69Å; F557-H583 HydrophobicContact CE2-CB 3.41Å; F557-H583 VanDerWaalsContact CE2-CB 3.41Å; F557-H583 HydrophobicContact CZ-CB 4.05Å; F557-A586 HydrophobicContact CE1-CB 4.35Å; F557-S587 VanDerWaalsContact CZ-OG 3.3Å; F557-S587 WeakPolarHBondContact CZ-OG 3.38Å; F557-F590 HydrophobicContact CD1-CD2 4.24Å; F557-F590 HydrophobicContact CD1-CE2 4.23Å; F557-F590 AromaticContact CE1-CD2 3.93Å; F557-F590 HydrophobicContact CE1-CD2 3.93Å; F557-F590 HydrophobicContact CE1-CE2 4.36Å |
| 558 | F | 96.6 | Very high | 92.9 | Very high | 23 Ų | 23 | 47.8 Ų | 47.8 | 10% | 0.101 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58 | -42.4 | 175.5 | 179.8 | -92.4 | 0 | 0 | 0 | 112 | H554 L555 D561 R562 Y679 D682 F683 M686 | H554-F558 PolarHBondContact O-N 3.27Å; L555-F558 PolarHBondContact O-N 3.23Å; F558-D561 PolarHBondContact O-N 3.06Å; F558-R562 HydrophobicContact CD1-CG 4.18Å; F558-R562 HydrophobicContact CE1-CG 3.87Å; F558-R562 HydrophobicContact CZ-CG 4.16Å; F558-R562 VanDerWaalsContact CZ-NE 3.34Å; F558-R562 VanDerWaalsContact O-CG 3.3Å; F558-R562 WeakPolarHBondContact O-CG 3.29Å; F558-R562 PolarHBondContact O-N 2.98Å; F558-Y679 WeakPolarHBondContact CD1-O 3.49Å; F558-Y679 VanDerWaalsContact CE1-O 3.24Å; F558-Y679 WeakPolarHBondContact CE1-O 3.29Å; F558-D682 HydrophobicContact CE1-CB 4.11Å; F558-D682 HydrophobicContact CZ-CB 4.26Å; F558-F683 HydrophobicContact CB-CD2 3.59Å; F558-F683 HydrophobicContact CB-CE2 4.07Å; F558-F683 HydrophobicContact CB-CG 4.37Å; F558-F683 HydrophobicContact CD1-CB 3.75Å; F558-F683 HydrophobicContact CD1-CD2 4.1Å; F558-F683 HydrophobicContact CD1-CG 4.35Å; F558-F683 AromaticContact CD2-CD2 3.9Å; F558-F683 HydrophobicContact CD2-CD2 3.9Å; F558-F683 HydrophobicContact CE1-CB 3.97Å; F558-F683 HydrophobicContact CG-CB 4.17Å; F558-F683 AromaticContact CG-CD2 3.61Å; F558-F683 HydrophobicContact CG-CD2 3.61Å; F558-F683 HydrophobicContact CG-CE2 4.47Å; F558-F683 HydrophobicContact CG-CG 4.3Å; F558-M686 HydrophobicContact CD2-CE 4.45Å; F558-M686 HydrophobicContact CE2-CE 4.41Å; F558-M686 HydrophobicContact CE2-SD 3.96Å |
| 559 | Q | 97.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.6 | -44 | 175.3 | -72.1 | 174.4 | -25.2 | 0 | 0 | 111.7 | L555 R556 F557 R562 L563 F619 I676 | L555-Q559 HydrophobicContact CD1-CG 4.16Å; L555-Q559 WeakPolarHBondContact O-CG 3.19Å; L555-Q559 PolarHBondContact O-N 2.94Å; R556-Q559 PolarHBondContact O-N 3Å; F557-Q559 VanDerWaalsContact C-N 3.28Å; F557-Q559 PolarHBondContact O-N 3.01Å; Q559-R562 PolarHBondContact O-N 3.39Å; Q559-L563 VanDerWaalsContact O-CG 3.22Å; Q559-L563 WeakPolarHBondContact O-CG 3.42Å; Q559-L563 PolarHBondContact O-N 2.86Å; Q559-F619 HydrophobicContact CB-CE1 3.77Å; Q559-F619 HydrophobicContact CB-CZ 3.62Å; Q559-F619 HydrophobicContact CG-CZ 4.49Å; Q559-F619 VanDerWaalsContact OE1-CZ 3.29Å; Q559-I676 VanDerWaalsContact NE2-CG2 3.3Å; Q559-I676 PolarHBondContact NE2-O 3.3Å |
| 560 | L | 97.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64 | -43.8 | 177.2 | -178 | 56.1 | 0 | 0 | 0 | 111.5 | R556 F557 R562 L563 M564 T582 A586 F590 F619 A622 L623 | R556-L560 PolarHBondContact O-N 3.35Å; F557-L560 PolarHBondContact O-N 2.77Å; F557-L560 VanDerWaalsContact O-N 3.09Å; L560-R562 VanDerWaalsContact C-N 3.33Å; L560-R562 PolarHBondContact O-N 3.25Å; L560-L563 CarbonylContact O-C 3.59Å; L560-L563 WeakPolarHBondContact O-CB 3.38Å; L560-L563 PolarHBondContact O-N 3.35Å; L560-L563 VanDerWaalsContact O-N 3.13Å; L560-M564 HydrophobicContact CD1-CG 4.27Å; L560-M564 HydrophobicContact CG-CG 4.44Å; L560-M564 HydrophobicContact CG-SD 4.18Å; L560-M564 WeakPolarHBondContact O-CG 3.25Å; L560-M564 PolarHBondContact O-N 3.4Å; L560-T582 HydrophobicContact CB-CG2 4.3Å; L560-T582 HydrophobicContact CD2-CG2 3.8Å; L560-T582 HydrophobicContact CG-CG2 4.31Å; L560-A586 HydrophobicContact CD2-CB 4.04Å; L560-F590 HydrophobicContact CD2-CE2 3.97Å; L560-F590 HydrophobicContact CD2-CZ 4.32Å; L560-F619 HydrophobicContact CB-CD1 4.14Å; L560-F619 HydrophobicContact CB-CE1 3.99Å; L560-F619 HydrophobicContact CD1-CD1 4.28Å; L560-A622 HydrophobicContact CD1-CB 4.01Å; L560-A622 HydrophobicContact CD2-CB 4.12Å; L560-L623 HydrophobicContact CD1-CD2 4.25Å; L560-L623 HydrophobicContact CD1-CG 4.37Å |
| 561 | D | 96.7 | Very high | 95.5 | Very high | 44 Ų | 44 | 43.1 Ų | 43.1 | 24% | 0.235 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.2 | -44 | 176 | -74.4 | -25.6 | 0 | 0 | 0 | 112 | F557 F558 L563 M564 R565 T582 | F557-D561 PolarHBondContact O-N 2.71Å; F558-D561 PolarHBondContact O-N 3.06Å; D561-L563 VanDerWaalsContact C-N 3.33Å; D561-M564 PolarHBondContact O-N 3.48Å; D561-R565 WeakPolarHBondContact O-CG 3.37Å; D561-R565 PolarHBondContact O-N 2.9Å; D561-T582 WeakPolarHBondContact OD1-CB 3.2Å; D561-T582 PolarHBondContact OD1-OG1 2.94Å |
| 562 | R | 96.2 | Very high | 95.9 | Very high | 99 Ų | 99 | 37.9 Ų | 37.9 | 37% | 0.374 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -66.1 | -37 | 177.1 | -68 | -66.6 | -177.2 | -178.2 | 1 | 112.1 | F558 Q559 L560 H566 Y679 | F558-R562 HydrophobicContact CD1-CG 4.18Å; F558-R562 HydrophobicContact CE1-CG 3.87Å; F558-R562 HydrophobicContact CZ-CG 4.16Å; F558-R562 VanDerWaalsContact CZ-NE 3.34Å; F558-R562 VanDerWaalsContact O-CG 3.3Å; F558-R562 WeakPolarHBondContact O-CG 3.29Å; F558-R562 PolarHBondContact O-N 2.98Å; Q559-R562 PolarHBondContact O-N 3.39Å; L560-R562 VanDerWaalsContact C-N 3.33Å; L560-R562 PolarHBondContact O-N 3.25Å; R562-H566 PolarHBondContact O-N 2.93Å; R562-Y679 HydrophobicContact CB-CD1 3.9Å; R562-Y679 HydrophobicContact CB-CD2 3.78Å; R562-Y679 HydrophobicContact CB-CE1 3.75Å; R562-Y679 HydrophobicContact CB-CE2 3.63Å; R562-Y679 HydrophobicContact CB-CG 3.93Å; R562-Y679 HydrophobicContact CG-CD1 4.01Å; R562-Y679 HydrophobicContact CG-CE1 4.18Å; R562-Y679 HydrophobicContact CG-CG 4.21Å |
| 563 | L | 96.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -68.1 | -40.4 | 174.6 | -70.8 | 167.4 | 0 | 0 | 0 | 111.9 | Q559 L560 D561 H566 Y567 F619 L623 I671 K675 I676 Y679 | Q559-L563 VanDerWaalsContact O-CG 3.22Å; Q559-L563 WeakPolarHBondContact O-CG 3.42Å; Q559-L563 PolarHBondContact O-N 2.86Å; L560-L563 CarbonylContact O-C 3.59Å; L560-L563 WeakPolarHBondContact O-CB 3.38Å; L560-L563 PolarHBondContact O-N 3.35Å; L560-L563 VanDerWaalsContact O-N 3.13Å; D561-L563 VanDerWaalsContact C-N 3.33Å; L563-H566 PolarHBondContact O-N 3.15Å; L563-H566 VanDerWaalsContact O-N 3.15Å; L563-Y567 HydrophobicContact CD2-CD2 4.31Å; L563-Y567 HydrophobicContact CD2-CE2 3.93Å; L563-Y567 WeakPolarHBondContact O-CD2 3.46Å; L563-Y567 PolarHBondContact O-N 3.42Å; L563-F619 HydrophobicContact CD1-CB 3.96Å; L563-F619 HydrophobicContact CD1-CD1 3.7Å; L563-F619 HydrophobicContact CD1-CE1 4.35Å; L563-F619 HydrophobicContact CD1-CG 3.88Å; L563-L623 HydrophobicContact CB-CD1 4.09Å; L563-L623 HydrophobicContact CB-CD2 4.16Å; L563-L623 HydrophobicContact CD1-CD1 4.41Å; L563-I671 HydrophobicContact CD1-CD1 4.32Å; L563-I671 HydrophobicContact CD1-CG2 4.48Å; L563-I671 HydrophobicContact CD2-CG1 4.47Å; L563-I671 HydrophobicContact CD2-CG2 4.24Å; L563-K675 HydrophobicContact CD2-CD 4.43Å; L563-I676 HydrophobicContact CD1-CD1 3.91Å; L563-I676 HydrophobicContact CD2-CD1 4.5Å; L563-Y679 HydrophobicContact CD2-CE2 4.07Å; L563-Y679 HydrophobicContact CG-CE2 4.16Å |
| 564 | M | 96.7 | Very high | 96.4 | Very high | 3 Ų | 3 | 40.6 Ų | 40.6 | 2% | 0.015 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.6 | -47.3 | 174.8 | -73.8 | 175.4 | 61.2 | 0 | 0 | 110.9 | L560 D561 H566 Y567 L568 F575 F585 L623 L626 | L560-M564 HydrophobicContact CD1-CG 4.27Å; L560-M564 HydrophobicContact CG-CG 4.44Å; L560-M564 HydrophobicContact CG-SD 4.18Å; L560-M564 WeakPolarHBondContact O-CG 3.25Å; L560-M564 PolarHBondContact O-N 3.4Å; D561-M564 PolarHBondContact O-N 3.48Å; M564-H566 PolarHBondContact O-N 3.39Å; M564-H566 VanDerWaalsContact O-N 3.15Å; M564-Y567 PolarHBondContact O-N 2.87Å; M564-L568 CarbonylContact O-C 3.07Å; M564-L568 VanDerWaalsContact O-CA 3.29Å; M564-L568 WeakPolarHBondContact O-CA 3.38Å; M564-L568 PolarHBondContact O-N 3.05Å; M564-F575 HydrophobicContact CE-CD2 3.6Å; M564-F575 HydrophobicContact CE-CE2 3.8Å; M564-F585 HydrophobicContact SD-CZ 4.37Å; M564-L623 HydrophobicContact CG-CD2 4.17Å; M564-L626 HydrophobicContact CE-CD1 4.01Å; M564-L626 HydrophobicContact CG-CD1 3.87Å; M564-L626 HydrophobicContact SD-CD1 3.59Å; M564-L626 VanDerWaalsContact SD-CD1 3.59Å |
| 565 | R | 96 | Very high | 96.6 | Very high | 95 Ų | 95 | 36.4 Ų | 36.4 | 36% | 0.358 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -57.8 | -30.8 | 174.8 | -72.5 | -178.7 | -174.1 | 105.6 | 2.4 | 113.5 | D561 S572 D576 | D561-R565 WeakPolarHBondContact O-CG 3.37Å; D561-R565 PolarHBondContact O-N 2.9Å; R565-S572 WeakPolarHBondContact CG-OG 3.32Å; R565-D576 IonicContact NE-OD2 3.43Å; R565-D576 IonicContact NH2-OD1 2.67Å; R565-D576 PolarHBondContact NH2-OD1 2.87Å; R565-D576 IonicContact NH2-OD2 2.77Å |
| 566 | H | 95 | Very high | 96.5 | Very high | 101 Ų | 101 | 39.8 Ų | 39.8 | 47% | 0.468 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -83.1 | -43.1 | 179.6 | -179.9 | -82.3 | 0 | 0 | 0 | 113.3 | R562 L563 M564 K675 | R562-H566 PolarHBondContact O-N 2.93Å; L563-H566 PolarHBondContact O-N 3.15Å; L563-H566 VanDerWaalsContact O-N 3.15Å; M564-H566 PolarHBondContact O-N 3.39Å; M564-H566 VanDerWaalsContact O-N 3.15Å; H566-K675 PolarHBondContact CD2-NZ 3.33Å; H566-K675 PolarHBondContact CE1-NZ 2.94Å; H566-K675 VanDerWaalsContact CG-NZ 3.32Å; H566-K675 PolarHBondContact ND1-NZ 3.33Å; H566-K675 PolarHBondContact NE2-NZ 3.25Å |
| 567 | Y | 95.3 | Very high | 96.5 | Very high | 63 Ų | 63 | 41.5 Ų | 41.5 | 25% | 0.247 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -100 | -26.6 | -171.7 | -72.1 | -67.7 | 0 | 0 | 0 | 114.2 | L563 M564 L623 F669 R670 | L563-Y567 HydrophobicContact CD2-CD2 4.31Å; L563-Y567 HydrophobicContact CD2-CE2 3.93Å; L563-Y567 WeakPolarHBondContact O-CD2 3.46Å; L563-Y567 PolarHBondContact O-N 3.42Å; M564-Y567 PolarHBondContact O-N 2.87Å; Y567-L623 HydrophobicContact CD2-CD1 3.86Å; Y567-L623 HydrophobicContact CE2-CD1 4.32Å; Y567-F669 AromaticContact CD1-CD1 3.95Å; Y567-F669 HydrophobicContact CD1-CD1 3.95Å; Y567-F669 HydrophobicContact CD1-CE1 4.26Å; Y567-F669 HydrophobicContact CD2-CD1 4.27Å; Y567-F669 HydrophobicContact CE1-CD1 4.24Å; Y567-F669 AromaticContact CG-CD1 3.96Å; Y567-F669 HydrophobicContact CG-CD1 3.96Å; Y567-F669 HydrophobicContact CG-CE1 4.13Å; Y567-R670 PolarHBondContact OH-O 3.05Å |
| 568 | L | 95.8 | Very high | 96.4 | Very high | 4 Ų | 4 | 42.8 Ų | 42.8 | 2% | 0.021 | 23% | 0.226 | C | C | . | . | trans | -135.6 | 57.9 | -175.5 | -57.1 | 173.3 | 0 | 0 | 0 | 110 | M564 T570 L571 S572 L623 L626 K627 | M564-L568 CarbonylContact O-C 3.07Å; M564-L568 VanDerWaalsContact O-CA 3.29Å; M564-L568 WeakPolarHBondContact O-CA 3.38Å; M564-L568 PolarHBondContact O-N 3.05Å; L568-T570 VanDerWaalsContact C-N 3.3Å; L568-T570 PolarHBondContact O-N 3.43Å; L568-L571 HydrophobicContact CB-CB 4.18Å; L568-L571 HydrophobicContact CD1-CD2 4.27Å; L568-L571 PolarHBondContact O-N 3.2Å; L568-S572 WeakPolarHBondContact O-CB 3.48Å; L568-S572 PolarHBondContact O-N 2.67Å; L568-L623 HydrophobicContact CD1-CD2 4.42Å; L568-L626 HydrophobicContact CD1-CB 3.56Å; L568-K627 HydrophobicContact CD1-CB 4.28Å; L568-K627 HydrophobicContact CD2-CB 3.83Å; L568-K627 HydrophobicContact CD2-CG 3.95Å | ||
| 569 | P | 97.2 | Very high | 96.3 | Very high | 77 Ų | 77 | 48.5 Ų | 48.5 | 50% | 0.5 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.4 | -36.3 | -171.7 | 24.6 | -34.5 | 0 | 0 | 0 | 113 | S572 A573 | P569-S572 PolarHBondContact O-N 2.97Å; P569-A573 WeakPolarHBondContact O-CB 3.35Å; P569-A573 PolarHBondContact O-N 3.13Å |
| 570 | T | 97.4 | Very high | 96.1 | Very high | 84 Ų | 84 | 48.9 Ų | 48.9 | 52% | 0.515 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.4 | -49.9 | 178 | -47.2 | 0 | 0 | 0 | 0 | 111.1 | L568 S572 A573 H574 L634 | L568-T570 VanDerWaalsContact C-N 3.3Å; L568-T570 PolarHBondContact O-N 3.43Å; T570-S572 VanDerWaalsContact C-N 3.35Å; T570-S572 PolarHBondContact O-N 3.44Å; T570-A573 PolarHBondContact O-N 2.7Å; T570-H574 PolarHBondContact O-N 2.95Å; T570-L634 HydrophobicContact CG2-CD1 4.08Å; T570-L634 HydrophobicContact CG2-CD2 4.02Å |
| 571 | L | 97.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.8 | -40.7 | 177.2 | -173.4 | 63.3 | 0 | 0 | 0 | 111.9 | L568 A573 H574 F575 L626 E630 L633 L634 | L568-L571 HydrophobicContact CB-CB 4.18Å; L568-L571 HydrophobicContact CD1-CD2 4.27Å; L568-L571 PolarHBondContact O-N 3.2Å; L571-A573 PolarHBondContact O-N 3.46Å; L571-H574 WeakPolarHBondContact O-CB 3.48Å; L571-H574 PolarHBondContact O-N 3.2Å; L571-F575 HydrophobicContact CD1-CD1 4.08Å; L571-F575 HydrophobicContact CD1-CE1 3.54Å; L571-F575 HydrophobicContact CD1-CZ 3.92Å; L571-F575 HydrophobicContact CD2-CZ 4.4Å; L571-F575 HydrophobicContact CG-CD1 4.42Å; L571-F575 HydrophobicContact CG-CE1 4.08Å; L571-F575 HydrophobicContact CG-CZ 4.13Å; L571-F575 PolarHBondContact O-N 2.98Å; L571-L626 HydrophobicContact CD2-CB 4.03Å; L571-L626 HydrophobicContact CD2-CD2 4.15Å; L571-E630 HydrophobicContact CB-CG 4.34Å; L571-L633 HydrophobicContact CD1-CB 3.68Å; L571-L633 HydrophobicContact CD1-CD1 4.26Å; L571-L633 HydrophobicContact CD2-CD1 4.2Å; L571-L634 HydrophobicContact CD1-CD2 4.33Å; L571-L634 HydrophobicContact CD1-CG 4.39Å |
| 572 | S | 96.9 | Very high | 95.7 | Very high | 6 Ų | 6 | 52.2 Ų | 52.2 | 4% | 0.042 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.5 | -44.1 | 177 | -172.9 | 0 | 0 | 0 | 0 | 112 | R565 L568 P569 T570 H574 F575 D576 | R565-S572 WeakPolarHBondContact CG-OG 3.32Å; L568-S572 WeakPolarHBondContact O-CB 3.48Å; L568-S572 PolarHBondContact O-N 2.67Å; P569-S572 PolarHBondContact O-N 2.97Å; T570-S572 VanDerWaalsContact C-N 3.35Å; T570-S572 PolarHBondContact O-N 3.44Å; S572-H574 VanDerWaalsContact C-N 3.32Å; S572-H574 PolarHBondContact O-N 2.92Å; S572-F575 PolarHBondContact O-N 3.11Å; S572-D576 VanDerWaalsContact O-CG 3.31Å; S572-D576 PolarHBondContact O-N 2.85Å |
| 573 | A | 97.2 | Very high | 95.4 | Very high | 58 Ų | 58 | 51.1 Ų | 51.1 | 48% | 0.479 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -65.7 | -36.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | P569 T570 L571 D576 S577 | P569-A573 WeakPolarHBondContact O-CB 3.35Å; P569-A573 PolarHBondContact O-N 3.13Å; T570-A573 PolarHBondContact O-N 2.7Å; L571-A573 PolarHBondContact O-N 3.46Å; A573-D576 PolarHBondContact O-N 3.08Å; A573-S577 PolarHBondContact O-N 3.45Å |
| 574 | H | 97.1 | Very high | 95.1 | Very high | 39 Ų | 39 | 54.5 Ų | 54.5 | 18% | 0.181 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.7 | -46.3 | 173.6 | -173.7 | 59.2 | 0 | 0 | 0 | 111.7 | T570 L571 S572 D576 S577 L578 L633 L634 Q636 | T570-H574 PolarHBondContact O-N 2.95Å; L571-H574 WeakPolarHBondContact O-CB 3.48Å; L571-H574 PolarHBondContact O-N 3.2Å; S572-H574 VanDerWaalsContact C-N 3.32Å; S572-H574 PolarHBondContact O-N 2.92Å; H574-D576 PolarHBondContact O-N 3.12Å; H574-S577 WeakPolarHBondContact O-CB 3.3Å; H574-S577 PolarHBondContact O-N 3.23Å; H574-S577 VanDerWaalsContact O-N 3.1Å; H574-S577 PolarHBondContact O-OG 3.09Å; H574-L578 VanDerWaalsContact NE2-CD1 3.28Å; H574-L578 WeakPolarHBondContact NE2-CD1 3.33Å; H574-L578 PolarHBondContact O-N 3.16Å; H574-L633 PolarHBondContact NE2-O 2.7Å; H574-L634 HydrophobicContact CB-CD2 3.69Å; H574-Q636 PolarHBondContact NE2-O 3.48Å |
| 575 | F | 96.8 | Very high | 94.8 | Very high | 5 Ų | 5 | 55.1 Ų | 55.1 | 2% | 0.022 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.7 | -41 | 176.9 | -77.1 | 12.3 | 0 | 0 | 0 | 112.3 | M564 L571 S572 S577 L578 H579 V580 F585 L626 L633 F645 | M564-F575 HydrophobicContact CE-CD2 3.6Å; M564-F575 HydrophobicContact CE-CE2 3.8Å; L571-F575 HydrophobicContact CD1-CD1 4.08Å; L571-F575 HydrophobicContact CD1-CE1 3.54Å; L571-F575 HydrophobicContact CD1-CZ 3.92Å; L571-F575 HydrophobicContact CD2-CZ 4.4Å; L571-F575 HydrophobicContact CG-CD1 4.42Å; L571-F575 HydrophobicContact CG-CE1 4.08Å; L571-F575 HydrophobicContact CG-CZ 4.13Å; L571-F575 PolarHBondContact O-N 2.98Å; S572-F575 PolarHBondContact O-N 3.11Å; F575-S577 VanDerWaalsContact C-N 3.26Å; F575-S577 PolarHBondContact O-N 3.48Å; F575-L578 CarbonylContact O-C 3.49Å; F575-L578 PolarHBondContact O-N 2.77Å; F575-H579 PolarHBondContact O-N 3.12Å; F575-V580 HydrophobicContact CB-CB 4.18Å; F575-V580 HydrophobicContact CD1-CB 4.45Å; F575-V580 HydrophobicContact CD2-CB 4.41Å; F575-V580 HydrophobicContact CD2-CG1 4.13Å; F575-V580 HydrophobicContact CE2-CG1 4.35Å; F575-V580 HydrophobicContact CG-CB 4.12Å; F575-V580 HydrophobicContact CG-CG1 4.3Å; F575-V580 PolarHBondContact O-N 3.27Å; F575-F585 HydrophobicContact CD2-CE1 4.15Å; F575-F585 HydrophobicContact CD2-CZ 4.48Å; F575-F585 AromaticContact CE2-CE1 3.86Å; F575-F585 HydrophobicContact CE2-CE1 3.86Å; F575-F585 HydrophobicContact CE2-CZ 4.05Å; F575-L626 HydrophobicContact CE2-CD2 4.21Å; F575-L626 HydrophobicContact CZ-CD2 4.43Å; F575-L633 HydrophobicContact CE1-CB 4.39Å; F575-L633 HydrophobicContact CZ-CD1 4.12Å; F575-L633 HydrophobicContact CZ-CD2 4.42Å; F575-F645 HydrophobicContact CE2-CE2 4.26Å; F575-F645 HydrophobicContact CE2-CZ 4Å; F575-F645 AromaticContact CZ-CE2 3.92Å; F575-F645 HydrophobicContact CZ-CE2 3.92Å; F575-F645 AromaticContact CZ-CZ 3.71Å; F575-F645 HydrophobicContact CZ-CZ 3.71Å |
| 576 | D | 95 | Very high | 94.7 | Very high | 83 Ų | 83 | 50.6 Ų | 50.6 | 44% | 0.444 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -59.3 | -38.4 | 173.1 | -72.4 | -29.8 | 0 | 0 | 0 | 110.6 | R565 S572 A573 H574 H579 | R565-D576 IonicContact NE-OD2 3.43Å; R565-D576 IonicContact NH2-OD1 2.67Å; R565-D576 PolarHBondContact NH2-OD1 2.87Å; R565-D576 IonicContact NH2-OD2 2.77Å; S572-D576 VanDerWaalsContact O-CG 3.31Å; S572-D576 PolarHBondContact O-N 2.85Å; A573-D576 PolarHBondContact O-N 3.08Å; H574-D576 PolarHBondContact O-N 3.12Å; D576-H579 PolarHBondContact O-N 3Å |
| 577 | S | 96 | Very high | 94.5 | Very high | 77 Ų | 77 | 47.5 Ų | 47.5 | 54% | 0.538 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -72.1 | -31 | 178.2 | 81.1 | 0 | 0 | 0 | 0 | 114.3 | A573 H574 F575 | A573-S577 PolarHBondContact O-N 3.45Å; H574-S577 WeakPolarHBondContact O-CB 3.3Å; H574-S577 PolarHBondContact O-N 3.23Å; H574-S577 VanDerWaalsContact O-N 3.1Å; H574-S577 PolarHBondContact O-OG 3.09Å; F575-S577 VanDerWaalsContact C-N 3.26Å; F575-S577 PolarHBondContact O-N 3.48Å |
| 578 | L | 94.9 | Very high | 94.2 | Very high | 38 Ų | 38 | 48.8 Ų | 48.8 | 20% | 0.199 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -89 | -5.6 | 176.5 | -67.9 | -179 | 0 | 0 | 0 | 113.1 | H574 F575 V580 Q636 F638 | H574-L578 VanDerWaalsContact NE2-CD1 3.28Å; H574-L578 WeakPolarHBondContact NE2-CD1 3.33Å; H574-L578 PolarHBondContact O-N 3.16Å; F575-L578 CarbonylContact O-C 3.49Å; F575-L578 PolarHBondContact O-N 2.77Å; L578-V580 VanDerWaalsContact C-N 3.25Å; L578-V580 HydrophobicContact CB-CG2 3.86Å; L578-V580 PolarHBondContact O-N 3.03Å; L578-Q636 WeakPolarHBondContact CD1-O 3.28Å; L578-F638 WeakPolarHBondContact O-CD2 3.28Å |
| 579 | H | 93.6 | Very high | 94.2 | Very high | 142 Ų | 142 | 49 Ų | 49 | 66% | 0.657 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.6 | 36.4 | -170.4 | -55.3 | -61.9 | 0 | 0 | 0 | 113.5 | F575 D576 E581 | F575-H579 PolarHBondContact O-N 3.12Å; D576-H579 PolarHBondContact O-N 3Å; H579-E581 PolarHBondContact O-N 3.28Å |
| 580 | V | 92.1 | Very high | 94.1 | Very high | 9 Ų | 9 | 45.4 Ų | 45.4 | 6% | 0.055 | 25% | 0.245 | C | C | . | . | trans | -83.1 | 105.1 | 172.6 | 177.2 | 0 | 0 | 0 | 0 | 108.8 | F575 L578 F585 F638 A641 | F575-V580 HydrophobicContact CB-CB 4.18Å; F575-V580 HydrophobicContact CD1-CB 4.45Å; F575-V580 HydrophobicContact CD2-CB 4.41Å; F575-V580 HydrophobicContact CD2-CG1 4.13Å; F575-V580 HydrophobicContact CE2-CG1 4.35Å; F575-V580 HydrophobicContact CG-CB 4.12Å; F575-V580 HydrophobicContact CG-CG1 4.3Å; F575-V580 PolarHBondContact O-N 3.27Å; L578-V580 VanDerWaalsContact C-N 3.25Å; L578-V580 HydrophobicContact CB-CG2 3.86Å; L578-V580 PolarHBondContact O-N 3.03Å; V580-F585 HydrophobicContact CG1-CD1 3.95Å; V580-F585 HydrophobicContact CG1-CE1 4.08Å; V580-F638 HydrophobicContact CG2-CD2 3.66Å; V580-F638 HydrophobicContact CG2-CE2 4.19Å; V580-A641 HydrophobicContact CG2-CB 4.49Å | ||
| 581 | E | 91.8 | Very high | 93.8 | Very high | 110 Ų | 110 | 42.7 Ų | 42.7 | 51% | 0.514 | 23% | 0.227 | S | C | . | . | trans | -87.4 | 148.2 | 178.6 | -63.8 | -176.1 | -148.9 | 0 | 0 | 112.3 | H579 H583 M584 | H579-E581 PolarHBondContact O-N 3.28Å; E581-H583 VanDerWaalsContact C-N 3.25Å; E581-H583 WeakPolarHBondContact CB-ND1 3.18Å; E581-H583 PolarHBondContact O-N 3Å; E581-H583 VanDerWaalsContact O-N 3.16Å; E581-H583 IonicContact OE2-CE1 3.05Å; E581-H583 PolarHBondContact OE2-CE1 2.92Å; E581-H583 IonicContact OE2-ND1 3.59Å; E581-H583 PolarHBondContact OE2-ND1 2.76Å; E581-M584 HydrophobicContact CB-CE 4.03Å; E581-M584 HydrophobicContact CB-CG 4.21Å; E581-M584 HydrophobicContact CB-SD 4.32Å; E581-M584 HydrophobicContact CG-CE 4.09Å; E581-M584 VanDerWaalsContact O-CB 3.28Å; E581-M584 WeakPolarHBondContact O-CB 3.5Å; E581-M584 WeakPolarHBondContact O-CG 3.49Å; E581-M584 PolarHBondContact O-N 3.43Å | ||
| 582 | T | 94.5 | Very high | 93.5 | Very high | 3 Ų | 3 | 43 Ų | 43 | 2% | 0.018 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -57.7 | -34.4 | -177.4 | -78.3 | 0 | 0 | 0 | 0 | 114.1 | F557 L560 D561 M584 F585 A586 | F557-T582 HydrophobicContact CB-CG2 3.79Å; F557-T582 HydrophobicContact CD1-CG2 3.61Å; F557-T582 HydrophobicContact CE1-CG2 4.45Å; F557-T582 HydrophobicContact CG-CG2 3.91Å; L560-T582 HydrophobicContact CB-CG2 4.3Å; L560-T582 HydrophobicContact CD2-CG2 3.8Å; L560-T582 HydrophobicContact CG-CG2 4.31Å; D561-T582 WeakPolarHBondContact OD1-CB 3.2Å; D561-T582 PolarHBondContact OD1-OG1 2.94Å; T582-M584 PolarHBondContact O-N 2.86Å; T582-F585 HydrophobicContact CG2-CZ 4.44Å; T582-F585 PolarHBondContact O-N 3.28Å; T582-A586 HydrophobicContact CG2-CB 3.79Å; T582-A586 VanDerWaalsContact O-CB 3.28Å; T582-A586 WeakPolarHBondContact O-CB 3.28Å; T582-A586 PolarHBondContact O-N 3.08Å |
| 583 | H | 90.4 | Very high | 93.4 | Very high | 76 Ų | 76 | 42.7 Ų | 42.7 | 35% | 0.352 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62.9 | -25.4 | 178.4 | 77.4 | -95.4 | 0 | 0 | 0 | 112.7 | F557 E581 F585 S587 | F557-H583 HydrophobicContact CD2-CB 3.69Å; F557-H583 HydrophobicContact CE2-CB 3.41Å; F557-H583 VanDerWaalsContact CE2-CB 3.41Å; F557-H583 HydrophobicContact CZ-CB 4.05Å; E581-H583 VanDerWaalsContact C-N 3.25Å; E581-H583 WeakPolarHBondContact CB-ND1 3.18Å; E581-H583 PolarHBondContact O-N 3Å; E581-H583 VanDerWaalsContact O-N 3.16Å; E581-H583 IonicContact OE2-CE1 3.05Å; E581-H583 PolarHBondContact OE2-CE1 2.92Å; E581-H583 IonicContact OE2-ND1 3.59Å; E581-H583 PolarHBondContact OE2-ND1 2.76Å; H583-F585 PolarHBondContact O-N 3.47Å; H583-S587 PolarHBondContact O-OG 3.37Å |
| 584 | M | 89.5 | Confident | 93.3 | Very high | 72 Ų | 72 | 40 Ų | 40 | 36% | 0.355 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -70.8 | -27.9 | -176.5 | -59.2 | 179.8 | 179.3 | 0 | 0 | 113.1 | E581 T582 F638 L642 | E581-M584 HydrophobicContact CB-CE 4.03Å; E581-M584 HydrophobicContact CB-CG 4.21Å; E581-M584 HydrophobicContact CB-SD 4.32Å; E581-M584 HydrophobicContact CG-CE 4.09Å; E581-M584 VanDerWaalsContact O-CB 3.28Å; E581-M584 WeakPolarHBondContact O-CB 3.5Å; E581-M584 WeakPolarHBondContact O-CG 3.49Å; E581-M584 PolarHBondContact O-N 3.43Å; T582-M584 PolarHBondContact O-N 2.86Å; M584-F638 HydrophobicContact CE-CE2 4.36Å; M584-F638 HydrophobicContact SD-CE2 3.8Å; M584-F638 HydrophobicContact SD-CZ 4Å; M584-L642 HydrophobicContact CB-CD2 3.99Å |
| 585 | F | 91.7 | Very high | 93.1 | Very high | 16 Ų | 16 | 38.2 Ų | 38.2 | 7% | 0.07 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -121.5 | -30.4 | -178.1 | 65 | -96.2 | 0 | 0 | 0 | 114.1 | M564 F575 V580 T582 H583 W589 L626 F645 | M564-F585 HydrophobicContact SD-CZ 4.37Å; F575-F585 HydrophobicContact CD2-CE1 4.15Å; F575-F585 HydrophobicContact CD2-CZ 4.48Å; F575-F585 AromaticContact CE2-CE1 3.86Å; F575-F585 HydrophobicContact CE2-CE1 3.86Å; F575-F585 HydrophobicContact CE2-CZ 4.05Å; V580-F585 HydrophobicContact CG1-CD1 3.95Å; V580-F585 HydrophobicContact CG1-CE1 4.08Å; T582-F585 HydrophobicContact CG2-CZ 4.44Å; T582-F585 PolarHBondContact O-N 3.28Å; H583-F585 PolarHBondContact O-N 3.47Å; F585-W589 HydrophobicContact CD2-CE3 4.4Å; F585-W589 AromaticContact CD2-CH2 3.49Å; F585-W589 HydrophobicContact CD2-CH2 3.49Å; F585-W589 VanDerWaalsContact CD2-CH2 3.49Å; F585-W589 AromaticContact CD2-CZ2 3.9Å; F585-W589 HydrophobicContact CD2-CZ2 3.9Å; F585-W589 AromaticContact CD2-CZ3 3.77Å; F585-W589 HydrophobicContact CD2-CZ3 3.77Å; F585-W589 AromaticContact CE2-CH2 3.78Å; F585-W589 HydrophobicContact CE2-CH2 3.78Å; F585-W589 AromaticContact CE2-CZ3 3.72Å; F585-W589 HydrophobicContact CE2-CZ3 3.72Å; F585-W589 PolarHBondContact O-NE1 3.16Å; F585-L626 HydrophobicContact CE2-CD2 4.29Å; F585-F645 HydrophobicContact CB-CB 4.22Å; F585-F645 HydrophobicContact CB-CD1 4.3Å; F585-F645 HydrophobicContact CB-CD2 3.55Å; F585-F645 HydrophobicContact CB-CE2 3.9Å; F585-F645 HydrophobicContact CB-CG 3.78Å; F585-F645 HydrophobicContact CB-CZ 4.41Å; F585-F645 HydrophobicContact CD1-CD2 4.37Å; F585-F645 AromaticContact CD1-CE2 3.88Å; F585-F645 HydrophobicContact CD1-CE2 3.88Å; F585-F645 HydrophobicContact CD1-CZ 4.27Å; F585-F645 HydrophobicContact CD2-CD1 4.44Å; F585-F645 HydrophobicContact CD2-CE1 4.09Å; F585-F645 HydrophobicContact CD2-CE2 4.24Å; F585-F645 AromaticContact CD2-CZ 3.97Å; F585-F645 HydrophobicContact CD2-CZ 3.97Å; F585-F645 HydrophobicContact CE1-CE2 4.48Å; F585-F645 HydrophobicContact CE2-CZ 4.31Å; F585-F645 AromaticContact CG-CD2 3.95Å; F585-F645 HydrophobicContact CG-CD2 3.95Å; F585-F645 HydrophobicContact CG-CE1 4.37Å; F585-F645 AromaticContact CG-CE2 3.74Å; F585-F645 HydrophobicContact CG-CE2 3.74Å; F585-F645 HydrophobicContact CG-CG 4.35Å; F585-F645 AromaticContact CG-CZ 3.96Å; F585-F645 HydrophobicContact CG-CZ 3.96Å |
| 586 | A | 93.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -93.3 | -10.4 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | F557 L560 T582 Q588 W589 F590 | F557-A586 HydrophobicContact CE1-CB 4.35Å; L560-A586 HydrophobicContact CD2-CB 4.04Å; T582-A586 HydrophobicContact CG2-CB 3.79Å; T582-A586 VanDerWaalsContact O-CB 3.28Å; T582-A586 WeakPolarHBondContact O-CB 3.28Å; T582-A586 PolarHBondContact O-N 3.08Å; A586-Q588 VanDerWaalsContact C-N 3.33Å; A586-Q588 PolarHBondContact O-N 3.15Å; A586-W589 HydrophobicContact CB-CD2 4.23Å; A586-W589 HydrophobicContact CB-CE3 3.85Å; A586-W589 HydrophobicContact CB-CZ3 4.36Å; A586-W589 VanDerWaalsContact O-CB 3.26Å; A586-W589 WeakPolarHBondContact O-CB 3.48Å; A586-W589 PolarHBondContact O-N 3.02Å; A586-F590 HydrophobicContact CB-CD2 4.28Å; A586-F590 HydrophobicContact CB-CE2 4.16Å; A586-F590 WeakPolarHBondContact O-CD2 3.36Å; A586-F590 PolarHBondContact O-N 2.88Å |
| 587 | S | 90.4 | Very high | 92.3 | Very high | 35 Ų | 35 | 37.8 Ų | 37.8 | 25% | 0.245 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -52 | -48.6 | -176.6 | -68.6 | 0 | 0 | 0 | 0 | 112.9 | F557 H583 W589 F590 L591 | F557-S587 VanDerWaalsContact CZ-OG 3.3Å; F557-S587 WeakPolarHBondContact CZ-OG 3.38Å; H583-S587 PolarHBondContact O-OG 3.37Å; S587-W589 VanDerWaalsContact C-N 3.31Å; S587-W589 PolarHBondContact O-N 3.04Å; S587-F590 PolarHBondContact O-N 3.18Å; S587-L591 WeakPolarHBondContact O-CB 3.36Å; S587-L591 VanDerWaalsContact O-CG 3.31Å; S587-L591 WeakPolarHBondContact O-CG 3.26Å; S587-L591 PolarHBondContact O-N 3.31Å |
| 588 | Q | 89.8 | Confident | 92.1 | Very high | 90 Ų | 90 | 34.2 Ų | 34.2 | 42% | 0.421 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -70.8 | -25.8 | 179.3 | -68.6 | -176.5 | -0.7 | 0 | 0 | 113.1 | A586 F590 T592 K597 | A586-Q588 VanDerWaalsContact C-N 3.33Å; A586-Q588 PolarHBondContact O-N 3.15Å; Q588-F590 VanDerWaalsContact C-N 3.35Å; Q588-T592 WeakPolarHBondContact O-CB 3.34Å; Q588-T592 PolarHBondContact O-N 3.49Å; Q588-T592 PolarHBondContact O-OG1 2.48Å; Q588-K597 VanDerWaalsContact OE1-CG 3.28Å |
| 589 | W | 95.2 | Very high | 92 | Very high | 10 Ų | 10 | 32.4 Ų | 32.4 | 4% | 0.038 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.6 | -44.7 | 177.6 | -58.9 | -3.4 | 0 | 0 | 0 | 110.6 | F585 A586 S587 L593 F594 F598 A622 L626 F645 L649 | F585-W589 HydrophobicContact CD2-CE3 4.4Å; F585-W589 AromaticContact CD2-CH2 3.49Å; F585-W589 HydrophobicContact CD2-CH2 3.49Å; F585-W589 VanDerWaalsContact CD2-CH2 3.49Å; F585-W589 AromaticContact CD2-CZ2 3.9Å; F585-W589 HydrophobicContact CD2-CZ2 3.9Å; F585-W589 AromaticContact CD2-CZ3 3.77Å; F585-W589 HydrophobicContact CD2-CZ3 3.77Å; F585-W589 AromaticContact CE2-CH2 3.78Å; F585-W589 HydrophobicContact CE2-CH2 3.78Å; F585-W589 AromaticContact CE2-CZ3 3.72Å; F585-W589 HydrophobicContact CE2-CZ3 3.72Å; F585-W589 PolarHBondContact O-NE1 3.16Å; A586-W589 HydrophobicContact CB-CD2 4.23Å; A586-W589 HydrophobicContact CB-CE3 3.85Å; A586-W589 HydrophobicContact CB-CZ3 4.36Å; A586-W589 VanDerWaalsContact O-CB 3.26Å; A586-W589 WeakPolarHBondContact O-CB 3.48Å; A586-W589 PolarHBondContact O-N 3.02Å; S587-W589 VanDerWaalsContact C-N 3.31Å; S587-W589 PolarHBondContact O-N 3.04Å; W589-L593 WeakPolarHBondContact O-CA 3.28Å; W589-L593 PolarHBondContact O-N 2.63Å; W589-F594 HydrophobicContact CB-CD1 3.84Å; W589-F594 HydrophobicContact CB-CE1 3.4Å; W589-F594 VanDerWaalsContact CB-CE1 3.4Å; W589-F594 HydrophobicContact CB-CE2 4.36Å; W589-F594 HydrophobicContact CB-CG 4.48Å; W589-F594 HydrophobicContact CB-CZ 3.7Å; W589-F594 AromaticContact CD1-CD1 3.9Å; W589-F594 AromaticContact CD1-CE1 3.97Å; W589-F594 HydrophobicContact CD2-CD1 4.38Å; W589-F594 AromaticContact CD2-CE1 3.7Å; W589-F594 HydrophobicContact CD2-CE1 3.7Å; W589-F594 HydrophobicContact CD2-CZ 4.5Å; W589-F594 HydrophobicContact CE3-CE1 4.08Å; W589-F594 AromaticContact CG-CD1 3.77Å; W589-F594 HydrophobicContact CG-CD1 3.77Å; W589-F594 AromaticContact CG-CE1 3.4Å; W589-F594 HydrophobicContact CG-CE1 3.4Å; W589-F594 HydrophobicContact CG-CZ 4.17Å; W589-F594 PolarHBondContact O-N 2.84Å; W589-F598 AromaticContact NE1-CE2 3.8Å; W589-A622 HydrophobicContact CE3-CB 3.81Å; W589-A622 HydrophobicContact CZ3-CB 3.93Å; W589-L626 HydrophobicContact CH2-CD2 4.42Å; W589-L626 HydrophobicContact CH2-CG 4.48Å; W589-L626 HydrophobicContact CZ3-CG 4.49Å; W589-F645 HydrophobicContact CH2-CD1 4.06Å; W589-F645 AromaticContact CH2-CE1 3.81Å; W589-F645 HydrophobicContact CH2-CE1 3.81Å; W589-F645 AromaticContact CZ2-CD1 3.8Å; W589-F645 HydrophobicContact CZ2-CD1 3.8Å; W589-F645 HydrophobicContact CZ2-CE1 4.04Å; W589-L649 HydrophobicContact CH2-CD2 4.49Å; W589-L649 HydrophobicContact CZ2-CD2 3.98Å |
| 590 | F | 94.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -74.1 | -51.5 | 176.8 | -74.7 | -84.7 | 0 | 0 | 0 | 112.5 | L545 L553 R556 F557 L560 A586 S587 Q588 T592 I618 F619 | L545-F590 HydrophobicContact CD1-CB 4.2Å; L553-F590 HydrophobicContact CD1-CB 3.58Å; L553-F590 HydrophobicContact CD1-CG 4.11Å; R556-F590 HydrophobicContact CB-CD1 3.9Å; R556-F590 HydrophobicContact CB-CE1 3.64Å; R556-F590 HydrophobicContact CB-CZ 4.04Å; R556-F590 HydrophobicContact CG-CD1 4.14Å; R556-F590 HydrophobicContact CG-CE1 4.1Å; F557-F590 HydrophobicContact CD1-CD2 4.24Å; F557-F590 HydrophobicContact CD1-CE2 4.23Å; F557-F590 AromaticContact CE1-CD2 3.93Å; F557-F590 HydrophobicContact CE1-CD2 3.93Å; F557-F590 HydrophobicContact CE1-CE2 4.36Å; L560-F590 HydrophobicContact CD2-CE2 3.97Å; L560-F590 HydrophobicContact CD2-CZ 4.32Å; A586-F590 HydrophobicContact CB-CD2 4.28Å; A586-F590 HydrophobicContact CB-CE2 4.16Å; A586-F590 WeakPolarHBondContact O-CD2 3.36Å; A586-F590 PolarHBondContact O-N 2.88Å; S587-F590 PolarHBondContact O-N 3.18Å; Q588-F590 VanDerWaalsContact C-N 3.35Å; F590-T592 VanDerWaalsContact C-N 3.32Å; F590-T592 PolarHBondContact O-N 3.4Å; F590-I618 HydrophobicContact CD1-CB 4.19Å; F590-I618 HydrophobicContact CD1-CD1 3.99Å; F590-I618 HydrophobicContact CD1-CG2 3.52Å; F590-I618 HydrophobicContact CD2-CG2 4.33Å; F590-I618 HydrophobicContact CE1-CB 4.06Å; F590-I618 HydrophobicContact CE1-CG2 3.54Å; F590-I618 HydrophobicContact CE2-CG2 4.36Å; F590-I618 HydrophobicContact CG-CG2 3.92Å; F590-I618 HydrophobicContact CZ-CG2 3.98Å; F590-F619 HydrophobicContact CE1-CD1 4.28Å; F590-F619 AromaticContact CE1-CE1 3.86Å; F590-F619 HydrophobicContact CE1-CE1 3.86Å; F590-F619 HydrophobicContact CE1-CZ 4Å; F590-F619 AromaticContact CZ-CD1 3.92Å; F590-F619 HydrophobicContact CZ-CD1 3.92Å; F590-F619 AromaticContact CZ-CE1 3.6Å; F590-F619 HydrophobicContact CZ-CE1 3.6Å; F590-F619 HydrophobicContact CZ-CZ 4.2Å |
| 591 | L | 91 | Very high | 91.8 | Very high | 27 Ų | 27 | 25.6 Ų | 25.6 | 14% | 0.141 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -70.2 | -27.7 | -171.9 | -64.6 | -179.3 | 0 | 0 | 0 | 113.5 | L545 F546 F550 L553 S587 | L545-L591 HydrophobicContact CB-CD2 3.83Å; L545-L591 HydrophobicContact CD1-CD2 4.45Å; F546-L591 HydrophobicContact CD1-CD2 4.01Å; F546-L591 HydrophobicContact CD2-CD2 4.44Å; F546-L591 HydrophobicContact CE1-CB 4.1Å; F546-L591 HydrophobicContact CE1-CD1 4.24Å; F546-L591 HydrophobicContact CE1-CD2 3.61Å; F546-L591 HydrophobicContact CE1-CG 4.19Å; F546-L591 HydrophobicContact CE2-CD2 4.09Å; F546-L591 HydrophobicContact CG-CD2 4.42Å; F546-L591 HydrophobicContact CZ-CB 3.92Å; F546-L591 HydrophobicContact CZ-CD2 3.68Å; F546-L591 HydrophobicContact CZ-CG 4.32Å; F550-L591 HydrophobicContact CE1-CD1 4.38Å; L553-L591 HydrophobicContact CD1-CD2 4.1Å; L553-L591 HydrophobicContact CD1-CG 4.33Å; L553-L591 HydrophobicContact CD2-CD1 4.12Å; L553-L591 HydrophobicContact CD2-CD2 4Å; L553-L591 HydrophobicContact CD2-CG 4.14Å; S587-L591 WeakPolarHBondContact O-CB 3.36Å; S587-L591 VanDerWaalsContact O-CG 3.31Å; S587-L591 WeakPolarHBondContact O-CG 3.26Å; S587-L591 PolarHBondContact O-N 3.31Å |
| 592 | T | 90.9 | Very high | 91.9 | Very high | 6 Ų | 6 | 20.3 Ų | 20.3 | 4% | 0.037 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -115.6 | 3.4 | -174.8 | 76.6 | 0 | 0 | 0 | 0 | 113.4 | Q588 F590 F594 T595 A596 | Q588-T592 WeakPolarHBondContact O-CB 3.34Å; Q588-T592 PolarHBondContact O-N 3.49Å; Q588-T592 PolarHBondContact O-OG1 2.48Å; F590-T592 VanDerWaalsContact C-N 3.32Å; F590-T592 PolarHBondContact O-N 3.4Å; T592-F594 PolarHBondContact O-N 2.8Å; T592-T595 VanDerWaalsContact O-CB 3.29Å; T592-T595 WeakPolarHBondContact O-CB 3.5Å; T592-T595 WeakPolarHBondContact O-CG2 3.45Å; T592-T595 PolarHBondContact O-N 2.72Å; T592-T595 VanDerWaalsContact O-N 3.08Å; T592-T595 PolarHBondContact O-OG1 3.17Å; T592-A596 HydrophobicContact CG2-CB 3.96Å; T592-A596 WeakPolarHBondContact OG1-CB 3.13Å; T592-A596 PolarHBondContact OG1-N 2.98Å |
| 593 | L | 95 | Very high | 91.9 | Very high | 1 Ų | 1 | 20.2 Ų | 20.2 | 1% | 0.005 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.8 | 43.6 | -171.3 | -60.7 | 179.1 | 0 | 0 | 0 | 112 | L516 I536 L542 W589 T595 F610 I618 | L516-L593 HydrophobicContact CD1-CD1 4.15Å; L516-L593 HydrophobicContact CD2-CD1 4.21Å; I536-L593 HydrophobicContact CG2-CD1 4.21Å; L542-L593 HydrophobicContact CD1-CD2 3.96Å; L542-L593 HydrophobicContact CD1-CG 4.17Å; L542-L593 HydrophobicContact CD2-CD1 4.14Å; L542-L593 HydrophobicContact CD2-CG 4.2Å; W589-L593 WeakPolarHBondContact O-CA 3.28Å; W589-L593 PolarHBondContact O-N 2.63Å; L593-T595 PolarHBondContact O-N 3.24Å; L593-F610 HydrophobicContact CD1-CD1 3.95Å; L593-F610 HydrophobicContact CD1-CD2 4.28Å; L593-F610 HydrophobicContact CD1-CE1 3.94Å; L593-F610 HydrophobicContact CD1-CE2 4.24Å; L593-F610 HydrophobicContact CD1-CG 4.13Å; L593-F610 HydrophobicContact CD1-CZ 4.08Å; L593-F610 HydrophobicContact CD2-CD2 3.76Å; L593-F610 HydrophobicContact CD2-CE2 3.64Å; L593-F610 HydrophobicContact CD2-CG 4.37Å; L593-F610 HydrophobicContact CD2-CZ 4.19Å; L593-I618 HydrophobicContact CD2-CD1 3.44Å; L593-I618 VanDerWaalsContact CD2-CD1 3.44Å; L593-I618 HydrophobicContact CD2-CG1 3.72Å |
| 594 | F | 94.8 | Very high | 92.1 | Very high | 2 Ų | 2 | 16.7 Ų | 16.7 | 1% | 0.009 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.1 | -2.9 | -178.3 | -53.3 | -94.9 | 0 | 0 | 0 | 116.5 | W589 T592 A596 K597 F598 I606 I618 I621 L625 | W589-F594 HydrophobicContact CB-CD1 3.84Å; W589-F594 HydrophobicContact CB-CE1 3.4Å; W589-F594 VanDerWaalsContact CB-CE1 3.4Å; W589-F594 HydrophobicContact CB-CE2 4.36Å; W589-F594 HydrophobicContact CB-CG 4.48Å; W589-F594 HydrophobicContact CB-CZ 3.7Å; W589-F594 AromaticContact CD1-CD1 3.9Å; W589-F594 AromaticContact CD1-CE1 3.97Å; W589-F594 HydrophobicContact CD2-CD1 4.38Å; W589-F594 AromaticContact CD2-CE1 3.7Å; W589-F594 HydrophobicContact CD2-CE1 3.7Å; W589-F594 HydrophobicContact CD2-CZ 4.5Å; W589-F594 HydrophobicContact CE3-CE1 4.08Å; W589-F594 AromaticContact CG-CD1 3.77Å; W589-F594 HydrophobicContact CG-CD1 3.77Å; W589-F594 AromaticContact CG-CE1 3.4Å; W589-F594 HydrophobicContact CG-CE1 3.4Å; W589-F594 HydrophobicContact CG-CZ 4.17Å; W589-F594 PolarHBondContact O-N 2.84Å; T592-F594 PolarHBondContact O-N 2.8Å; F594-A596 PolarHBondContact O-N 3.37Å; F594-K597 PolarHBondContact O-N 3.29Å; F594-F598 HydrophobicContact CB-CD2 3.84Å; F594-F598 HydrophobicContact CB-CE2 4.46Å; F594-F598 HydrophobicContact CB-CG 4.42Å; F594-F598 AromaticContact CD1-CD2 3.95Å; F594-F598 HydrophobicContact CD1-CD2 3.95Å; F594-F598 AromaticContact CD1-CE2 3.72Å; F594-F598 HydrophobicContact CD1-CE2 3.72Å; F594-F598 HydrophobicContact CD1-CZ 4.38Å; F594-F598 HydrophobicContact CG-CD2 4.41Å; F594-F598 PolarHBondContact O-N 3.21Å; F594-I606 HydrophobicContact CB-CD1 3.79Å; F594-I606 HydrophobicContact CD2-CD1 3.83Å; F594-I606 HydrophobicContact CD2-CG2 3.96Å; F594-I606 HydrophobicContact CG-CD1 3.84Å; F594-I618 HydrophobicContact CE2-CG2 3.9Å; F594-I618 HydrophobicContact CZ-CG2 4.11Å; F594-I621 HydrophobicContact CD1-CG2 4.31Å; F594-I621 HydrophobicContact CD2-CG2 4.24Å; F594-I621 HydrophobicContact CE1-CG2 3.8Å; F594-I621 HydrophobicContact CE2-CB 3.87Å; F594-I621 HydrophobicContact CE2-CG2 3.72Å; F594-I621 HydrophobicContact CZ-CB 3.77Å; F594-I621 HydrophobicContact CZ-CG2 3.47Å; F594-I621 VanDerWaalsContact CZ-CG2 3.47Å; F594-L625 HydrophobicContact CD1-CD1 4.08Å; F594-L625 HydrophobicContact CE1-CD1 3.61Å |
| 595 | T | 93 | Very high | 92.3 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 7% | 0.069 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -25.7 | -175.5 | 61.7 | 0 | 0 | 0 | 0 | 113.8 | F454 F515 L516 T592 L593 V603 | F454-T595 WeakPolarHBondContact CE1-O 3.38Å; F515-T595 WeakPolarHBondContact CB-OG1 3.4Å; L516-T595 HydrophobicContact CB-CG2 4.47Å; L516-T595 HydrophobicContact CD1-CG2 4.18Å; T592-T595 VanDerWaalsContact O-CB 3.29Å; T592-T595 WeakPolarHBondContact O-CB 3.5Å; T592-T595 WeakPolarHBondContact O-CG2 3.45Å; T592-T595 PolarHBondContact O-N 2.72Å; T592-T595 VanDerWaalsContact O-N 3.08Å; T592-T595 PolarHBondContact O-OG1 3.17Å; L593-T595 PolarHBondContact O-N 3.24Å; T595-V603 HydrophobicContact CG2-CG1 3.49Å; T595-V603 VanDerWaalsContact CG2-CG1 3.49Å |
| 596 | A | 87.9 | Confident | 92.5 | Very high | 8 Ų | 8 | 12.8 Ų | 12.8 | 7% | 0.066 | 7% | 0.066 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -25.5 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115 | S364 F515 T592 F594 | S364-A596 WeakPolarHBondContact CB-O 3.35Å; F515-A596 HydrophobicContact CD2-CB 3.97Å; F515-A596 HydrophobicContact CE2-CB 4.13Å; F515-A596 HydrophobicContact CG-CB 4.18Å; F515-A596 HydrophobicContact CZ-CB 4.47Å; T592-A596 HydrophobicContact CG2-CB 3.96Å; T592-A596 WeakPolarHBondContact OG1-CB 3.13Å; T592-A596 PolarHBondContact OG1-N 2.98Å; F594-A596 PolarHBondContact O-N 3.37Å |
| 597 | K | 87.6 | Confident | 92.6 | Very high | 71 Ų | 71 | 12.9 Ų | 12.9 | 31% | 0.309 | 7% | 0.066 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -129.7 | -27.4 | -168.8 | -64.3 | -64.2 | -179.1 | -173.9 | 0 | 114.7 | Q588 F594 P650 | Q588-K597 VanDerWaalsContact OE1-CG 3.28Å; F594-K597 PolarHBondContact O-N 3.29Å; K597-P650 HydrophobicContact CB-CG 4.38Å; K597-P650 VanDerWaalsContact O-CB 3.28Å; K597-P650 WeakPolarHBondContact O-CB 3.41Å |
| 598 | F | 92.8 | Very high | 92.9 | Very high | 2 Ų | 2 | 11.2 Ų | 11.2 | 1% | 0.009 | 5% | 0.054 | C | C | . | . | S | Bend | trans | -92.1 | 154.5 | -173.6 | -71 | -94.1 | 0 | 0 | 0 | 112.1 | W589 F594 M602 V603 L625 L649 P650 Y653 | W589-F598 AromaticContact NE1-CE2 3.8Å; F594-F598 HydrophobicContact CB-CD2 3.84Å; F594-F598 HydrophobicContact CB-CE2 4.46Å; F594-F598 HydrophobicContact CB-CG 4.42Å; F594-F598 AromaticContact CD1-CD2 3.95Å; F594-F598 HydrophobicContact CD1-CD2 3.95Å; F594-F598 AromaticContact CD1-CE2 3.72Å; F594-F598 HydrophobicContact CD1-CE2 3.72Å; F594-F598 HydrophobicContact CD1-CZ 4.38Å; F594-F598 HydrophobicContact CG-CD2 4.41Å; F594-F598 PolarHBondContact O-N 3.21Å; F598-M602 HydrophobicContact CB-CE 4.35Å; F598-M602 HydrophobicContact CB-SD 4.16Å; F598-M602 HydrophobicContact CD1-CE 3.45Å; F598-M602 VanDerWaalsContact CD1-CE 3.45Å; F598-M602 HydrophobicContact CD1-SD 3.48Å; F598-M602 WeakPolarHBondContact CD1-SD 3.42Å; F598-M602 HydrophobicContact CE1-CE 3.81Å; F598-M602 HydrophobicContact CE1-SD 4.22Å; F598-M602 HydrophobicContact CG-CE 3.89Å; F598-M602 HydrophobicContact CG-SD 4.11Å; F598-V603 HydrophobicContact CB-CG2 4.1Å; F598-L625 HydrophobicContact CE1-CD1 4.07Å; F598-L625 HydrophobicContact CE1-CD2 3.88Å; F598-L625 HydrophobicContact CE2-CD1 4.49Å; F598-L625 HydrophobicContact CZ-CD1 3.75Å; F598-L625 HydrophobicContact CZ-CD2 4.32Å; F598-L649 HydrophobicContact CE1-CD2 4.45Å; F598-L649 HydrophobicContact CE1-CG 4.14Å; F598-L649 HydrophobicContact CZ-CD2 4.05Å; F598-L649 HydrophobicContact CZ-CG 4.22Å; F598-P650 HydrophobicContact CD1-CB 4.28Å; F598-P650 HydrophobicContact CE1-CB 4.48Å; F598-P650 HydrophobicContact CE1-CG 4.46Å; F598-Y653 HydrophobicContact CD1-CD2 4.42Å; F598-Y653 HydrophobicContact CE1-CD2 4.26Å |
| 599 | P | 92.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 7.1 Ų | 7.1 | 0% | 0 | 4% | 0.035 | C | C | . | . | trans | -58.7 | 146.9 | 176.7 | -24.8 | 34.8 | 0 | 0 | 0 | 113.3 | L362 S366 S601 M602 V603 P650 Y653 R654 | L362-P599 HydrophobicContact CD2-CG 3.7Å; S366-P599 CarbonylContact O-C 3.06Å; S366-P599 VanDerWaalsContact O-CA 3.23Å; S366-P599 WeakPolarHBondContact O-CA 3.41Å; P599-S601 VanDerWaalsContact C-N 3.34Å; P599-S601 PolarHBondContact O-N 3.3Å; P599-M602 PolarHBondContact O-N 2.68Å; P599-M602 VanDerWaalsContact O-N 3.08Å; P599-V603 WeakPolarHBondContact O-CG2 3.35Å; P599-V603 PolarHBondContact O-N 3.26Å; P599-P650 WeakPolarHBondContact CD-O 3.46Å; P599-P650 WeakPolarHBondContact CG-O 3.44Å; P599-Y653 WeakPolarHBondContact CG-O 3.4Å; P599-R654 HydrophobicContact CG-CB 4.39Å | ||
| 600 | L | 92 | Very high | 93.2 | Very high | 0 Ų | 0 | 6.7 Ų | 6.7 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -56.7 | -42.6 | -175 | -73.7 | 178.9 | 0 | 0 | 0 | 113.5 | G365 S366 V369 F454 L522 M602 V603 F604 | G365-L600 WeakPolarHBondContact O-CD1 3.45Å; S366-L600 PolarHBondContact O-N 2.95Å; V369-L600 HydrophobicContact CG2-CB 4.04Å; V369-L600 HydrophobicContact CG2-CD1 4.43Å; F454-L600 HydrophobicContact CD2-CD2 4.24Å; F454-L600 HydrophobicContact CE1-CD2 4.03Å; F454-L600 HydrophobicContact CE2-CD2 3.62Å; F454-L600 HydrophobicContact CZ-CD2 3.49Å; F454-L600 VanDerWaalsContact CZ-CD2 3.49Å; L522-L600 HydrophobicContact CD1-CD1 3.89Å; L522-L600 HydrophobicContact CD1-CD2 4.3Å; L600-M602 VanDerWaalsContact C-N 3.28Å; L600-M602 PolarHBondContact O-N 3.26Å; L600-V603 PolarHBondContact O-N 2.95Å; L600-V603 VanDerWaalsContact O-N 3.1Å; L600-F604 HydrophobicContact CB-CE1 4.24Å; L600-F604 HydrophobicContact CB-CE2 3.86Å; L600-F604 HydrophobicContact CB-CZ 3.67Å; L600-F604 HydrophobicContact CD1-CZ 4.18Å; L600-F604 HydrophobicContact CD2-CE1 3.88Å; L600-F604 HydrophobicContact CD2-CZ 3.83Å; L600-F604 HydrophobicContact CG-CZ 4.1Å; L600-F604 WeakPolarHBondContact O-CD1 3.31Å; L600-F604 VanDerWaalsContact O-CD2 3.3Å; L600-F604 WeakPolarHBondContact O-CD2 3.42Å; L600-F604 WeakPolarHBondContact O-CG 3.25Å; L600-F604 PolarHBondContact O-N 3.23Å |
| 601 | S | 89.9 | Confident | 93.2 | Very high | 8 Ų | 8 | 6.7 Ų | 6.7 | 6% | 0.056 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -54.8 | -42.5 | 177 | 172.6 | 0 | 0 | 0 | 0 | 112.4 | P599 H605 E656 | P599-S601 VanDerWaalsContact C-N 3.34Å; P599-S601 PolarHBondContact O-N 3.3Å; S601-H605 PolarHBondContact O-CD2 3.36Å; S601-H605 VanDerWaalsContact O-CD2 3.23Å; S601-E656 WeakPolarHBondContact OG-CA 3.43Å |
| 602 | M | 93.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 6.3 Ų | 6.3 | 0% | 0 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -70.8 | -44.1 | 175.4 | 176.5 | 178.2 | 156.7 | 0 | 0 | 111.9 | F598 P599 L600 F604 H605 I606 I621 L625 Y653 A659 L662 | F598-M602 HydrophobicContact CB-CE 4.35Å; F598-M602 HydrophobicContact CB-SD 4.16Å; F598-M602 HydrophobicContact CD1-CE 3.45Å; F598-M602 VanDerWaalsContact CD1-CE 3.45Å; F598-M602 HydrophobicContact CD1-SD 3.48Å; F598-M602 WeakPolarHBondContact CD1-SD 3.42Å; F598-M602 HydrophobicContact CE1-CE 3.81Å; F598-M602 HydrophobicContact CE1-SD 4.22Å; F598-M602 HydrophobicContact CG-CE 3.89Å; F598-M602 HydrophobicContact CG-SD 4.11Å; P599-M602 PolarHBondContact O-N 2.68Å; P599-M602 VanDerWaalsContact O-N 3.08Å; L600-M602 VanDerWaalsContact C-N 3.28Å; L600-M602 PolarHBondContact O-N 3.26Å; M602-F604 VanDerWaalsContact C-N 3.29Å; M602-F604 PolarHBondContact O-N 3.24Å; M602-H605 PolarHBondContact O-N 2.93Å; M602-I606 HydrophobicContact CE-CD1 3.63Å; M602-I606 HydrophobicContact CG-CD1 3.93Å; M602-I606 WeakPolarHBondContact O-CG1 3.41Å; M602-I606 PolarHBondContact O-N 3.16Å; M602-I621 HydrophobicContact CE-CG2 4.26Å; M602-L625 HydrophobicContact CE-CD1 4.16Å; M602-L625 HydrophobicContact CE-CD2 3.99Å; M602-L625 HydrophobicContact CE-CG 4.42Å; M602-Y653 VanDerWaalsContact SD-CB 3.53Å; M602-Y653 HydrophobicContact SD-CD1 4.4Å; M602-Y653 HydrophobicContact SD-CD2 3.98Å; M602-Y653 HydrophobicContact SD-CG 3.71Å; M602-A659 HydrophobicContact CB-CB 3.86Å; M602-A659 HydrophobicContact CG-CB 4.46Å; M602-L662 HydrophobicContact CE-CD2 3.32Å; M602-L662 HydrophobicContact CG-CD2 4.38Å; M602-L662 HydrophobicContact SD-CD2 3.66Å |
| 603 | V | 94.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -58.7 | -41.4 | 180 | 169.4 | 0 | 0 | 0 | 0 | 111.4 | T595 F598 P599 L600 I606 I607 | T595-V603 HydrophobicContact CG2-CG1 3.49Å; T595-V603 VanDerWaalsContact CG2-CG1 3.49Å; F598-V603 HydrophobicContact CB-CG2 4.1Å; P599-V603 WeakPolarHBondContact O-CG2 3.35Å; P599-V603 PolarHBondContact O-N 3.26Å; L600-V603 PolarHBondContact O-N 2.95Å; L600-V603 VanDerWaalsContact O-N 3.1Å; V603-I606 WeakPolarHBondContact O-CB 3.42Å; V603-I606 PolarHBondContact O-N 3.14Å; V603-I606 VanDerWaalsContact O-N 3.13Å; V603-I607 HydrophobicContact CG1-CD1 3.98Å; V603-I607 HydrophobicContact CG1-CG1 4.5Å; V603-I607 WeakPolarHBondContact O-CG1 3.35Å; V603-I607 PolarHBondContact O-N 3.05Å |
| 604 | F | 94.5 | Very high | 93.2 | Very high | 2 Ų | 2 | 9.7 Ų | 9.7 | 1% | 0.009 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -65.1 | -42.3 | 179.8 | -57.6 | -23.8 | 0 | 0 | 0 | 111.9 | V369 R412 W416 L522 H523 L600 M602 I606 I607 D608 | V369-F604 HydrophobicContact CG1-CD2 4.43Å; V369-F604 HydrophobicContact CG1-CE2 3.9Å; V369-F604 HydrophobicContact CG2-CE2 3.74Å; R412-F604 VanDerWaalsContact NH1-CD2 3.32Å; W416-F604 HydrophobicContact CH2-CB 4.49Å; W416-F604 HydrophobicContact CH2-CD1 4.03Å; W416-F604 HydrophobicContact CH2-CG 4.47Å; W416-F604 HydrophobicContact CZ2-CB 4.33Å; L522-F604 HydrophobicContact CD1-CZ 3.99Å; H523-F604 AromaticContact CE1-CD1 3.59Å; H523-F604 AromaticContact CE1-CD2 3.54Å; H523-F604 AromaticContact CE1-CE1 3.46Å; H523-F604 VanDerWaalsContact CE1-CE1 3.46Å; H523-F604 WeakPolarHBondContact CE1-CE1 3.46Å; H523-F604 AromaticContact CE1-CE2 3.38Å; H523-F604 WeakPolarHBondContact CE1-CE2 3.49Å; H523-F604 AromaticContact CE1-CG 3.64Å; H523-F604 AromaticContact CE1-CZ 3.34Å; H523-F604 WeakPolarHBondContact CE1-CZ 3.33Å; H523-F604 AromaticContact NE2-CD2 3.8Å; H523-F604 AromaticContact NE2-CE2 3.79Å; L600-F604 HydrophobicContact CB-CE1 4.24Å; L600-F604 HydrophobicContact CB-CE2 3.86Å; L600-F604 HydrophobicContact CB-CZ 3.67Å; L600-F604 HydrophobicContact CD1-CZ 4.18Å; L600-F604 HydrophobicContact CD2-CE1 3.88Å; L600-F604 HydrophobicContact CD2-CZ 3.83Å; L600-F604 HydrophobicContact CG-CZ 4.1Å; L600-F604 WeakPolarHBondContact O-CD1 3.31Å; L600-F604 VanDerWaalsContact O-CD2 3.3Å; L600-F604 WeakPolarHBondContact O-CD2 3.42Å; L600-F604 WeakPolarHBondContact O-CG 3.25Å; L600-F604 PolarHBondContact O-N 3.23Å; M602-F604 VanDerWaalsContact C-N 3.29Å; M602-F604 PolarHBondContact O-N 3.24Å; F604-I606 VanDerWaalsContact C-N 3.28Å; F604-I606 PolarHBondContact O-N 3.4Å; F604-I607 PolarHBondContact O-N 3.28Å; F604-D608 PolarHBondContact O-N 3.37Å |
| 605 | H | 93.5 | Very high | 93.1 | Very high | 6 Ų | 6 | 10.8 Ų | 10.8 | 3% | 0.028 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -63.2 | -32.7 | 172.3 | -71.5 | -48.5 | 0 | 0 | 0 | 113.5 | G406 S601 M602 D608 L609 I663 | G406-H605 VanDerWaalsContact CA-CE1 3.49Å; G406-H605 WeakPolarHBondContact CA-CE1 3.47Å; G406-H605 WeakPolarHBondContact CA-ND1 3.3Å; S601-H605 PolarHBondContact O-CD2 3.36Å; S601-H605 VanDerWaalsContact O-CD2 3.23Å; M602-H605 PolarHBondContact O-N 2.93Å; H605-D608 IonicContact ND1-OD2 3.16Å; H605-D608 WeakPolarHBondContact O-CB 3.2Å; H605-L609 PolarHBondContact O-N 3.36Å; H605-L609 VanDerWaalsContact O-N 3.12Å; H605-I663 HydrophobicContact CB-CD1 3.86Å; H605-I663 HydrophobicContact CB-CG1 3.79Å |
| 606 | I | 95.8 | Very high | 93.1 | Very high | 1 Ų | 1 | 12.7 Ų | 12.7 | 1% | 0.005 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -67.3 | -42.1 | 174.3 | -67.2 | 168.5 | 0 | 0 | 0 | 110.6 | F594 M602 V603 F604 L609 F610 I621 I663 | F594-I606 HydrophobicContact CB-CD1 3.79Å; F594-I606 HydrophobicContact CD2-CD1 3.83Å; F594-I606 HydrophobicContact CD2-CG2 3.96Å; F594-I606 HydrophobicContact CG-CD1 3.84Å; M602-I606 HydrophobicContact CE-CD1 3.63Å; M602-I606 HydrophobicContact CG-CD1 3.93Å; M602-I606 WeakPolarHBondContact O-CG1 3.41Å; M602-I606 PolarHBondContact O-N 3.16Å; V603-I606 WeakPolarHBondContact O-CB 3.42Å; V603-I606 PolarHBondContact O-N 3.14Å; V603-I606 VanDerWaalsContact O-N 3.13Å; F604-I606 VanDerWaalsContact C-N 3.28Å; F604-I606 PolarHBondContact O-N 3.4Å; I606-L609 PolarHBondContact O-N 3.45Å; I606-F610 VanDerWaalsContact O-CB 3.23Å; I606-F610 WeakPolarHBondContact O-CB 3.39Å; I606-F610 PolarHBondContact O-N 3.08Å; I606-I621 HydrophobicContact CD1-CG2 3.91Å; I606-I621 HydrophobicContact CG1-CD1 4.03Å; I606-I621 HydrophobicContact CG1-CG1 4.1Å; I606-I621 HydrophobicContact CG1-CG2 4.32Å; I606-I663 HydrophobicContact CG1-CD1 4.33Å |
| 607 | I | 96.1 | Very high | 93.4 | Very high | 1 Ų | 1 | 12.3 Ų | 12.3 | 1% | 0.005 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -65.6 | -42.1 | 176.5 | -64.7 | 170.1 | 0 | 0 | 0 | 110.5 | W416 L516 V603 F604 L609 F610 L611 | W416-I607 HydrophobicContact CD2-CG2 3.9Å; W416-I607 HydrophobicContact CE3-CG2 4.21Å; W416-I607 HydrophobicContact CH2-CB 4.16Å; W416-I607 HydrophobicContact CH2-CD1 4.02Å; W416-I607 HydrophobicContact CH2-CG2 3.91Å; W416-I607 HydrophobicContact CZ2-CB 3.74Å; W416-I607 HydrophobicContact CZ2-CD1 4.47Å; W416-I607 HydrophobicContact CZ2-CG2 3.55Å; W416-I607 HydrophobicContact CZ3-CG2 4.23Å; L516-I607 HydrophobicContact CD1-CD1 4.2Å; V603-I607 HydrophobicContact CG1-CD1 3.98Å; V603-I607 HydrophobicContact CG1-CG1 4.5Å; V603-I607 WeakPolarHBondContact O-CG1 3.35Å; V603-I607 PolarHBondContact O-N 3.05Å; F604-I607 PolarHBondContact O-N 3.28Å; I607-L609 VanDerWaalsContact C-N 3.32Å; I607-L609 PolarHBondContact O-N 2.82Å; I607-F610 PolarHBondContact O-N 3.48Å; I607-L611 HydrophobicContact CG2-CD1 3.78Å; I607-L611 HydrophobicContact CG2-CG 4.15Å; I607-L611 WeakPolarHBondContact O-CG 3.38Å; I607-L611 PolarHBondContact O-N 2.94Å |
| 608 | D | 95.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -50.8 | -52.4 | 173.5 | -66.5 | -14 | 0 | 0 | 0 | 110.6 | I403 I407 R412 W416 F604 H605 S612 | I403-D608 HydrophobicContact CG2-CB 4.09Å; I403-D608 WeakPolarHBondContact CG2-O 3.45Å; I407-D608 HydrophobicContact CD1-CB 3.85Å; I407-D608 WeakPolarHBondContact CD1-OD1 3.4Å; I407-D608 HydrophobicContact CG1-CB 3.96Å; I407-D608 VanDerWaalsContact CG1-CG 3.48Å; I407-D608 PolarHBondContact N-OD2 2.88Å; R412-D608 IonicContact NE-OD1 2.94Å; R412-D608 IonicContact NE-OD2 2.94Å; W416-D608 PolarHBondContact NE1-OD1 3.49Å; F604-D608 PolarHBondContact O-N 3.37Å; H605-D608 IonicContact ND1-OD2 3.16Å; H605-D608 WeakPolarHBondContact O-CB 3.2Å; D608-S612 PolarHBondContact O-N 3.11Å |
| 609 | L | 95.1 | Very high | 94 | Very high | 4 Ų | 4 | 8.9 Ų | 8.9 | 2% | 0.021 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -67.9 | -42.6 | 178 | -71.6 | -178.1 | 0 | 0 | 0 | 112.7 | I403 R404 H605 I606 I607 L611 S612 E613 T617 I621 I663 V667 | I403-L609 HydrophobicContact CG2-CD2 4.23Å; R404-L609 HydrophobicContact CG-CD2 3.95Å; H605-L609 PolarHBondContact O-N 3.36Å; H605-L609 VanDerWaalsContact O-N 3.12Å; I606-L609 PolarHBondContact O-N 3.45Å; I607-L609 VanDerWaalsContact C-N 3.32Å; I607-L609 PolarHBondContact O-N 2.82Å; L609-L611 PolarHBondContact O-N 3.22Å; L609-S612 CarbonylContact O-C 3.59Å; L609-S612 WeakPolarHBondContact O-CA 3.23Å; L609-S612 WeakPolarHBondContact O-CB 3.1Å; L609-S612 PolarHBondContact O-N 3.29Å; L609-E613 PolarHBondContact O-N 3.3Å; L609-T617 HydrophobicContact CB-CG2 3.61Å; L609-T617 HydrophobicContact CD1-CG2 4.36Å; L609-I621 HydrophobicContact CD1-CD1 4.3Å; L609-I663 HydrophobicContact CD1-CD1 3.83Å; L609-I663 HydrophobicContact CD1-CG2 3.87Å; L609-I663 HydrophobicContact CG-CG2 4.48Å; L609-V667 HydrophobicContact CD2-CG1 4.48Å |
| 610 | F | 96.4 | Very high | 94.2 | Very high | 1 Ų | 1 | 10 Ų | 10 | 0% | 0.004 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -63 | -42.9 | -176.2 | 178.5 | -90.1 | 0 | 0 | 0 | 111.7 | I536 Y540 L593 I606 I607 S612 G614 M615 T617 I618 | I536-F610 HydrophobicContact CG1-CE1 4.37Å; I536-F610 HydrophobicContact CG2-CE1 3.85Å; I536-F610 HydrophobicContact CG2-CZ 4.36Å; Y540-F610 HydrophobicContact CD1-CD1 4.25Å; Y540-F610 AromaticContact CD1-CE1 3.74Å; Y540-F610 HydrophobicContact CD1-CE1 3.74Å; Y540-F610 HydrophobicContact CD1-CZ 4.19Å; Y540-F610 WeakPolarHBondContact CE1-O 3.46Å; Y540-F610 AromaticContact CG-CE1 3.82Å; Y540-F610 HydrophobicContact CG-CE1 3.82Å; Y540-F610 HydrophobicContact CG-CZ 4.27Å; L593-F610 HydrophobicContact CD1-CD1 3.95Å; L593-F610 HydrophobicContact CD1-CD2 4.28Å; L593-F610 HydrophobicContact CD1-CE1 3.94Å; L593-F610 HydrophobicContact CD1-CE2 4.24Å; L593-F610 HydrophobicContact CD1-CG 4.13Å; L593-F610 HydrophobicContact CD1-CZ 4.08Å; L593-F610 HydrophobicContact CD2-CD2 3.76Å; L593-F610 HydrophobicContact CD2-CE2 3.64Å; L593-F610 HydrophobicContact CD2-CG 4.37Å; L593-F610 HydrophobicContact CD2-CZ 4.19Å; I606-F610 VanDerWaalsContact O-CB 3.23Å; I606-F610 WeakPolarHBondContact O-CB 3.39Å; I606-F610 PolarHBondContact O-N 3.08Å; I607-F610 PolarHBondContact O-N 3.48Å; F610-S612 PolarHBondContact O-N 2.86Å; F610-G614 WeakPolarHBondContact O-CA 3.13Å; F610-G614 PolarHBondContact O-N 3.15Å; F610-M615 HydrophobicContact CE2-SD 4.12Å; F610-T617 HydrophobicContact CB-CG2 4.34Å; F610-I618 HydrophobicContact CD2-CG1 4.42Å; F610-I618 HydrophobicContact CE2-CD1 4.35Å; F610-I618 HydrophobicContact CE2-CG1 4.46Å |
| 611 | L | 95.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -69.9 | -19.3 | 175.5 | -65.5 | 176.9 | 0 | 0 | 0 | 112.6 | W416 L419 A420 I536 Y540 I607 L609 | W416-L611 HydrophobicContact CB-CD1 3.57Å; W416-L611 HydrophobicContact CD2-CD1 4.23Å; W416-L611 HydrophobicContact CG-CD1 3.55Å; L419-L611 HydrophobicContact CB-CB 3.8Å; L419-L611 HydrophobicContact CD1-CB 3.99Å; A420-L611 HydrophobicContact CB-CD2 4.39Å; I536-L611 HydrophobicContact CD1-CD2 4.15Å; I536-L611 HydrophobicContact CG1-CD2 3.81Å; Y540-L611 HydrophobicContact CE1-CD2 4.41Å; Y540-L611 HydrophobicContact CE2-CD2 4.01Å; Y540-L611 PolarHBondContact OH-O 3.4Å; I607-L611 HydrophobicContact CG2-CD1 3.78Å; I607-L611 HydrophobicContact CG2-CG 4.15Å; I607-L611 WeakPolarHBondContact O-CG 3.38Å; I607-L611 PolarHBondContact O-N 2.94Å; L609-L611 PolarHBondContact O-N 3.22Å |
| 612 | S | 93.3 | Very high | 94.8 | Very high | 19 Ų | 19 | 9.6 Ų | 9.6 | 13% | 0.133 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -86.1 | -51.2 | 174.8 | -175.6 | 0 | 0 | 0 | 0 | 113 | R395 D608 L609 F610 | R395-S612 PolarHBondContact NH1-O 3.14Å; D608-S612 PolarHBondContact O-N 3.11Å; L609-S612 CarbonylContact O-C 3.59Å; L609-S612 WeakPolarHBondContact O-CA 3.23Å; L609-S612 WeakPolarHBondContact O-CB 3.1Å; L609-S612 PolarHBondContact O-N 3.29Å; F610-S612 PolarHBondContact O-N 2.86Å |
| 613 | E | 90.6 | Very high | 95 | Very high | 65 Ų | 65 | 9.6 Ų | 9.6 | 30% | 0.304 | 5% | 0.052 | S | C | . | . | H | α-helix | trans | -109.4 | -13.5 | -166.2 | -57.2 | -168.1 | 172.5 | 0 | 0 | 114 | R404 L609 | R404-E613 IonicContact CZ-OE1 3.79Å; R404-E613 IonicContact NE-OE1 3.7Å; R404-E613 PolarHBondContact NE-OE1 3.42Å; R404-E613 IonicContact NH2-OE1 2.66Å; R404-E613 PolarHBondContact NH2-OE1 3.36Å; L609-E613 PolarHBondContact O-N 3.3Å |
| 614 | G | 92.9 | Very high | 95.1 | Very high | 13 Ų | 13 | 9.6 Ų | 9.6 | 13% | 0.134 | 5% | 0.052 | C | C | . | . | trans | 83.3 | -158.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | F610 N616 T617 | F610-G614 WeakPolarHBondContact O-CA 3.13Å; F610-G614 PolarHBondContact O-N 3.15Å; G614-N616 PolarHBondContact O-N 2.75Å; G614-N616 VanDerWaalsContact O-N 3.11Å; G614-T617 WeakPolarHBondContact O-CB 2.85Å; G614-T617 PolarHBondContact O-N 2.87Å; G614-T617 PolarHBondContact O-OG1 3.37Å | ||
| 615 | M | 92.1 | Very high | 95.2 | Very high | 26 Ų | 26 | 9.5 Ų | 9.5 | 13% | 0.128 | 5% | 0.052 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | -31.1 | -169.2 | -164.4 | 62.5 | 75.9 | 0 | 0 | 114.4 | Y540 L542 F610 T617 I618 | Y540-M615 WeakPolarHBondContact O-CE 3.27Å; L542-M615 HydrophobicContact CB-CE 4.49Å; L542-M615 HydrophobicContact CD1-CE 4.3Å; L542-M615 HydrophobicContact CD1-SD 4.47Å; F610-M615 HydrophobicContact CE2-SD 4.12Å; M615-T617 PolarHBondContact O-N 3.3Å; M615-T617 VanDerWaalsContact O-N 3.14Å; M615-I618 PolarHBondContact O-N 3.22Å; M615-I618 HydrophobicContact SD-CD1 3.53Å; M615-I618 VanDerWaalsContact SD-CD1 3.53Å |
| 616 | N | 92.7 | Very high | 95.4 | Very high | 39 Ų | 39 | 9.2 Ų | 9.2 | 21% | 0.209 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -62.2 | -23.4 | 179.8 | -71.9 | -24.5 | 0 | 0 | 0 | 113.1 | G614 I618 F619 H620 | G614-N616 PolarHBondContact O-N 2.75Å; G614-N616 VanDerWaalsContact O-N 3.11Å; N616-I618 PolarHBondContact O-N 2.94Å; N616-I618 VanDerWaalsContact O-N 3.16Å; N616-F619 WeakPolarHBondContact O-CB 3.46Å; N616-F619 PolarHBondContact O-N 3.45Å; N616-H620 PolarHBondContact O-CD2 2.67Å; N616-H620 PolarHBondContact O-N 3.28Å |
| 617 | T | 94.8 | Very high | 95.5 | Very high | 1 Ų | 1 | 13.6 Ų | 13.6 | 1% | 0.006 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -50.4 | -39.9 | 175.5 | -54 | 0 | 0 | 0 | 0 | 111.7 | L609 F610 G614 M615 F619 H620 I621 | L609-T617 HydrophobicContact CB-CG2 3.61Å; L609-T617 HydrophobicContact CD1-CG2 4.36Å; F610-T617 HydrophobicContact CB-CG2 4.34Å; G614-T617 WeakPolarHBondContact O-CB 2.85Å; G614-T617 PolarHBondContact O-N 2.87Å; G614-T617 PolarHBondContact O-OG1 3.37Å; M615-T617 PolarHBondContact O-N 3.3Å; M615-T617 VanDerWaalsContact O-N 3.14Å; T617-F619 VanDerWaalsContact C-N 3.3Å; T617-F619 PolarHBondContact O-N 2.93Å; T617-H620 WeakPolarHBondContact O-CB 3.34Å; T617-H620 PolarHBondContact O-N 2.55Å; T617-H620 VanDerWaalsContact O-N 3.13Å; T617-I621 HydrophobicContact CG2-CG1 4.2Å; T617-I621 WeakPolarHBondContact O-CG1 3.15Å; T617-I621 PolarHBondContact O-N 3.09Å |
| 618 | I | 96 | Very high | 95.4 | Very high | 1 Ų | 1 | 15.6 Ų | 15.6 | 1% | 0.005 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -61 | -40.8 | -178.9 | -53.1 | 174.1 | 0 | 0 | 0 | 110.9 | F590 L593 F594 F610 M615 N616 I621 A622 | F590-I618 HydrophobicContact CD1-CB 4.19Å; F590-I618 HydrophobicContact CD1-CD1 3.99Å; F590-I618 HydrophobicContact CD1-CG2 3.52Å; F590-I618 HydrophobicContact CD2-CG2 4.33Å; F590-I618 HydrophobicContact CE1-CB 4.06Å; F590-I618 HydrophobicContact CE1-CG2 3.54Å; F590-I618 HydrophobicContact CE2-CG2 4.36Å; F590-I618 HydrophobicContact CG-CG2 3.92Å; F590-I618 HydrophobicContact CZ-CG2 3.98Å; L593-I618 HydrophobicContact CD2-CD1 3.44Å; L593-I618 VanDerWaalsContact CD2-CD1 3.44Å; L593-I618 HydrophobicContact CD2-CG1 3.72Å; F594-I618 HydrophobicContact CE2-CG2 3.9Å; F594-I618 HydrophobicContact CZ-CG2 4.11Å; F610-I618 HydrophobicContact CD2-CG1 4.42Å; F610-I618 HydrophobicContact CE2-CD1 4.35Å; F610-I618 HydrophobicContact CE2-CG1 4.46Å; M615-I618 PolarHBondContact O-N 3.22Å; M615-I618 HydrophobicContact SD-CD1 3.53Å; M615-I618 VanDerWaalsContact SD-CD1 3.53Å; N616-I618 PolarHBondContact O-N 2.94Å; N616-I618 VanDerWaalsContact O-N 3.16Å; I618-I621 PolarHBondContact O-N 3.27Å; I618-A622 VanDerWaalsContact O-CB 3.24Å; I618-A622 WeakPolarHBondContact O-CB 3.38Å; I618-A622 PolarHBondContact O-N 2.75Å |
| 619 | F | 96.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -66.1 | -41.1 | 176 | -66.2 | -65.6 | 0 | 0 | 0 | 112.4 | R556 Q559 L560 L563 F590 N616 T617 A622 L623 I671 I676 | R556-F619 HydrophobicContact CB-CZ 4.14Å; R556-F619 HydrophobicContact CG-CZ 4.44Å; R556-F619 WeakPolarHBondContact O-CE1 3.26Å; Q559-F619 HydrophobicContact CB-CE1 3.77Å; Q559-F619 HydrophobicContact CB-CZ 3.62Å; Q559-F619 HydrophobicContact CG-CZ 4.49Å; Q559-F619 VanDerWaalsContact OE1-CZ 3.29Å; L560-F619 HydrophobicContact CB-CD1 4.14Å; L560-F619 HydrophobicContact CB-CE1 3.99Å; L560-F619 HydrophobicContact CD1-CD1 4.28Å; L563-F619 HydrophobicContact CD1-CB 3.96Å; L563-F619 HydrophobicContact CD1-CD1 3.7Å; L563-F619 HydrophobicContact CD1-CE1 4.35Å; L563-F619 HydrophobicContact CD1-CG 3.88Å; F590-F619 HydrophobicContact CE1-CD1 4.28Å; F590-F619 AromaticContact CE1-CE1 3.86Å; F590-F619 HydrophobicContact CE1-CE1 3.86Å; F590-F619 HydrophobicContact CE1-CZ 4Å; F590-F619 AromaticContact CZ-CD1 3.92Å; F590-F619 HydrophobicContact CZ-CD1 3.92Å; F590-F619 AromaticContact CZ-CE1 3.6Å; F590-F619 HydrophobicContact CZ-CE1 3.6Å; F590-F619 HydrophobicContact CZ-CZ 4.2Å; N616-F619 WeakPolarHBondContact O-CB 3.46Å; N616-F619 PolarHBondContact O-N 3.45Å; T617-F619 VanDerWaalsContact C-N 3.3Å; T617-F619 PolarHBondContact O-N 2.93Å; F619-A622 PolarHBondContact O-N 3.46Å; F619-L623 WeakPolarHBondContact O-CB 3.48Å; F619-L623 WeakPolarHBondContact O-CG 3.26Å; F619-L623 PolarHBondContact O-N 3.04Å; F619-I671 HydrophobicContact CB-CD1 3.7Å; F619-I676 HydrophobicContact CD2-CD1 4.2Å; F619-I676 HydrophobicContact CE2-CD1 4.22Å |
| 620 | H | 95.9 | Very high | 95.5 | Very high | 22 Ų | 22 | 17.4 Ų | 17.4 | 10% | 0.102 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -60.4 | -47.3 | 177.1 | -73.1 | -81.8 | 0 | 0 | 0 | 111.4 | N616 T617 A624 A666 F669 | N616-H620 PolarHBondContact O-CD2 2.67Å; N616-H620 PolarHBondContact O-N 3.28Å; T617-H620 WeakPolarHBondContact O-CB 3.34Å; T617-H620 PolarHBondContact O-N 2.55Å; T617-H620 VanDerWaalsContact O-N 3.13Å; H620-A624 WeakPolarHBondContact O-CB 3.3Å; H620-A624 PolarHBondContact O-N 2.61Å; H620-A666 HydrophobicContact CB-CB 4.15Å; H620-A666 PolarHBondContact ND1-O 3.34Å; H620-A666 VanDerWaalsContact ND1-O 3.07Å; H620-F669 PolarHBondContact CE1-O 3.13Å; H620-F669 PolarHBondContact ND1-O 2.94Å |
| 621 | I | 97.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -66.1 | -45.5 | 178.4 | -59 | -62.1 | 0 | 0 | 0 | 110.9 | F594 M602 I606 L609 T617 I618 L623 A624 L625 I663 A666 | F594-I621 HydrophobicContact CD1-CG2 4.31Å; F594-I621 HydrophobicContact CD2-CG2 4.24Å; F594-I621 HydrophobicContact CE1-CG2 3.8Å; F594-I621 HydrophobicContact CE2-CB 3.87Å; F594-I621 HydrophobicContact CE2-CG2 3.72Å; F594-I621 HydrophobicContact CZ-CB 3.77Å; F594-I621 HydrophobicContact CZ-CG2 3.47Å; F594-I621 VanDerWaalsContact CZ-CG2 3.47Å; M602-I621 HydrophobicContact CE-CG2 4.26Å; I606-I621 HydrophobicContact CD1-CG2 3.91Å; I606-I621 HydrophobicContact CG1-CD1 4.03Å; I606-I621 HydrophobicContact CG1-CG1 4.1Å; I606-I621 HydrophobicContact CG1-CG2 4.32Å; L609-I621 HydrophobicContact CD1-CD1 4.3Å; T617-I621 HydrophobicContact CG2-CG1 4.2Å; T617-I621 WeakPolarHBondContact O-CG1 3.15Å; T617-I621 PolarHBondContact O-N 3.09Å; I618-I621 PolarHBondContact O-N 3.27Å; I621-L623 PolarHBondContact O-N 3.11Å; I621-A624 PolarHBondContact O-N 2.93Å; I621-L625 HydrophobicContact CG2-CD1 3.98Å; I621-L625 HydrophobicContact CG2-CG 4.36Å; I621-L625 WeakPolarHBondContact O-CG 3.34Å; I621-L625 PolarHBondContact O-N 3.1Å; I621-I663 HydrophobicContact CD1-CD1 3.64Å; I621-A666 HydrophobicContact CD1-CB 3.78Å |
| 622 | A | 97.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -58.9 | -46.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112 | L560 W589 I618 F619 A624 L625 L626 | L560-A622 HydrophobicContact CD1-CB 4.01Å; L560-A622 HydrophobicContact CD2-CB 4.12Å; W589-A622 HydrophobicContact CE3-CB 3.81Å; W589-A622 HydrophobicContact CZ3-CB 3.93Å; I618-A622 VanDerWaalsContact O-CB 3.24Å; I618-A622 WeakPolarHBondContact O-CB 3.38Å; I618-A622 PolarHBondContact O-N 2.75Å; F619-A622 PolarHBondContact O-N 3.46Å; A622-A624 PolarHBondContact O-N 3.3Å; A622-L625 PolarHBondContact O-N 3.38Å; A622-L626 WeakPolarHBondContact O-CB 3.11Å; A622-L626 VanDerWaalsContact O-CG 3.27Å; A622-L626 WeakPolarHBondContact O-CG 3.45Å; A622-L626 PolarHBondContact O-N 3.37Å |
| 623 | L | 97.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65.5 | -37.8 | 176.5 | -72 | 173 | 0 | 0 | 0 | 112.5 | L560 L563 M564 Y567 L568 F619 I621 L626 K627 F669 I671 | L560-L623 HydrophobicContact CD1-CD2 4.25Å; L560-L623 HydrophobicContact CD1-CG 4.37Å; L563-L623 HydrophobicContact CB-CD1 4.09Å; L563-L623 HydrophobicContact CB-CD2 4.16Å; L563-L623 HydrophobicContact CD1-CD1 4.41Å; M564-L623 HydrophobicContact CG-CD2 4.17Å; Y567-L623 HydrophobicContact CD2-CD1 3.86Å; Y567-L623 HydrophobicContact CE2-CD1 4.32Å; L568-L623 HydrophobicContact CD1-CD2 4.42Å; F619-L623 WeakPolarHBondContact O-CB 3.48Å; F619-L623 WeakPolarHBondContact O-CG 3.26Å; F619-L623 PolarHBondContact O-N 3.04Å; I621-L623 PolarHBondContact O-N 3.11Å; L623-L626 PolarHBondContact O-N 3.45Å; L623-K627 WeakPolarHBondContact O-CB 3.35Å; L623-K627 PolarHBondContact O-N 3.26Å; L623-F669 HydrophobicContact CB-CD1 4.23Å; L623-F669 HydrophobicContact CB-CD2 4.17Å; L623-F669 HydrophobicContact CB-CE1 3.96Å; L623-F669 HydrophobicContact CB-CE2 3.92Å; L623-F669 HydrophobicContact CB-CG 4.32Å; L623-F669 HydrophobicContact CB-CZ 3.78Å; L623-F669 HydrophobicContact CD1-CD1 4.02Å; L623-F669 HydrophobicContact CD1-CE1 4.38Å; L623-F669 HydrophobicContact CD1-CG 4.28Å; L623-I671 HydrophobicContact CD1-CD1 3.77Å; L623-I671 HydrophobicContact CD1-CG1 4.43Å |
| 624 | A | 97.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64.6 | -42.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | H620 I621 A622 K627 A628 L662 C665 A666 F669 | H620-A624 WeakPolarHBondContact O-CB 3.3Å; H620-A624 PolarHBondContact O-N 2.61Å; I621-A624 PolarHBondContact O-N 2.93Å; A622-A624 PolarHBondContact O-N 3.3Å; A624-K627 PolarHBondContact O-N 3.41Å; A624-A628 VanDerWaalsContact O-CB 3.24Å; A624-A628 WeakPolarHBondContact O-CB 3.38Å; A624-A628 PolarHBondContact O-N 2.91Å; A624-L662 HydrophobicContact CB-CD1 3.64Å; A624-L662 HydrophobicContact CB-CG 4.39Å; A624-C665 HydrophobicContact CB-CB 4.35Å; A624-A666 HydrophobicContact CB-CB 3.76Å; A624-F669 HydrophobicContact CB-CE2 4.06Å |
| 625 | L | 97.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.4 | -46.6 | 175.7 | -74.9 | 170.2 | 0 | 0 | 0 | 111.9 | F594 F598 M602 I621 A622 S629 L649 Y653 L662 | F594-L625 HydrophobicContact CD1-CD1 4.08Å; F594-L625 HydrophobicContact CE1-CD1 3.61Å; F598-L625 HydrophobicContact CE1-CD1 4.07Å; F598-L625 HydrophobicContact CE1-CD2 3.88Å; F598-L625 HydrophobicContact CE2-CD1 4.49Å; F598-L625 HydrophobicContact CZ-CD1 3.75Å; F598-L625 HydrophobicContact CZ-CD2 4.32Å; M602-L625 HydrophobicContact CE-CD1 4.16Å; M602-L625 HydrophobicContact CE-CD2 3.99Å; M602-L625 HydrophobicContact CE-CG 4.42Å; I621-L625 HydrophobicContact CG2-CD1 3.98Å; I621-L625 HydrophobicContact CG2-CG 4.36Å; I621-L625 WeakPolarHBondContact O-CG 3.34Å; I621-L625 PolarHBondContact O-N 3.1Å; A622-L625 PolarHBondContact O-N 3.38Å; L625-S629 WeakPolarHBondContact O-CB 3.39Å; L625-S629 PolarHBondContact O-N 2.9Å; L625-S629 PolarHBondContact O-OG 3.21Å; L625-L649 HydrophobicContact CD2-CD1 4.02Å; L625-L649 HydrophobicContact CD2-CD2 4.5Å; L625-L649 HydrophobicContact CD2-CG 4.39Å; L625-Y653 HydrophobicContact CD2-CD2 3.94Å; L625-Y653 HydrophobicContact CD2-CE2 3.24Å; L625-L662 HydrophobicContact CD2-CD1 3.96Å; L625-L662 HydrophobicContact CD2-CD2 3.62Å; L625-L662 HydrophobicContact CD2-CG 4.46Å; L625-L662 HydrophobicContact CG-CD1 4.16Å; L625-L662 HydrophobicContact CG-CD2 4.09Å |
| 626 | L | 97.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.8 | -44.3 | 178.5 | -70.8 | 167.3 | 0 | 0 | 0 | 111.4 | M564 L568 L571 F575 F585 W589 A622 L623 S629 E630 L633 F645 | M564-L626 HydrophobicContact CE-CD1 4.01Å; M564-L626 HydrophobicContact CG-CD1 3.87Å; M564-L626 HydrophobicContact SD-CD1 3.59Å; M564-L626 VanDerWaalsContact SD-CD1 3.59Å; L568-L626 HydrophobicContact CD1-CB 3.56Å; L571-L626 HydrophobicContact CD2-CB 4.03Å; L571-L626 HydrophobicContact CD2-CD2 4.15Å; F575-L626 HydrophobicContact CE2-CD2 4.21Å; F575-L626 HydrophobicContact CZ-CD2 4.43Å; F585-L626 HydrophobicContact CE2-CD2 4.29Å; W589-L626 HydrophobicContact CH2-CD2 4.42Å; W589-L626 HydrophobicContact CH2-CG 4.48Å; W589-L626 HydrophobicContact CZ3-CG 4.49Å; A622-L626 WeakPolarHBondContact O-CB 3.11Å; A622-L626 VanDerWaalsContact O-CG 3.27Å; A622-L626 WeakPolarHBondContact O-CG 3.45Å; A622-L626 PolarHBondContact O-N 3.37Å; L623-L626 PolarHBondContact O-N 3.45Å; L626-S629 CarbonylContact O-C 3.57Å; L626-S629 PolarHBondContact O-N 3.48Å; L626-E630 PolarHBondContact O-N 2.78Å; L626-L633 HydrophobicContact CD2-CD1 4.25Å; L626-F645 HydrophobicContact CD2-CE1 3.81Å; L626-F645 HydrophobicContact CD2-CZ 3.73Å |
| 627 | K | 96.8 | Very high | 96 | Very high | 94 Ų | 94 | 34 Ų | 34 | 41% | 0.409 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -62.9 | -44.6 | 177.4 | -175.2 | 175.3 | 175.4 | -172.1 | 0 | 112.2 | L568 L623 A624 S629 E630 F669 | L568-K627 HydrophobicContact CD1-CB 4.28Å; L568-K627 HydrophobicContact CD2-CB 3.83Å; L568-K627 HydrophobicContact CD2-CG 3.95Å; L623-K627 WeakPolarHBondContact O-CB 3.35Å; L623-K627 PolarHBondContact O-N 3.26Å; A624-K627 PolarHBondContact O-N 3.41Å; K627-S629 PolarHBondContact O-N 3.16Å; K627-E630 PolarHBondContact O-N 3.11Å; K627-F669 HydrophobicContact CB-CZ 4.1Å; K627-F669 HydrophobicContact CD-CE1 4.28Å; K627-F669 HydrophobicContact CD-CE2 4.4Å; K627-F669 HydrophobicContact CD-CZ 3.58Å; K627-F669 HydrophobicContact CG-CZ 4.48Å |
| 628 | A | 95.5 | Very high | 95.9 | Very high | 43 Ų | 43 | 38 Ų | 38 | 36% | 0.355 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -68.4 | -12.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | A624 K652 Y653 | A624-A628 VanDerWaalsContact O-CB 3.24Å; A624-A628 WeakPolarHBondContact O-CB 3.38Å; A624-A628 PolarHBondContact O-N 2.91Å; A628-K652 PolarHBondContact O-NZ 3.42Å; A628-Y653 WeakPolarHBondContact CB-OH 3.22Å |
| 629 | S | 95.7 | Very high | 95.5 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.007 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.4 | 8.2 | -177.5 | -44.2 | 0 | 0 | 0 | 0 | 112.5 | L625 L626 K627 Q631 D632 L633 Y644 L649 | L625-S629 WeakPolarHBondContact O-CB 3.39Å; L625-S629 PolarHBondContact O-N 2.9Å; L625-S629 PolarHBondContact O-OG 3.21Å; L626-S629 CarbonylContact O-C 3.57Å; L626-S629 PolarHBondContact O-N 3.48Å; K627-S629 PolarHBondContact O-N 3.16Å; S629-Q631 VanDerWaalsContact C-N 3.34Å; S629-Q631 PolarHBondContact O-N 2.93Å; S629-D632 PolarHBondContact O-N 3.3Å; S629-L633 WeakPolarHBondContact O-CB 3.24Å; S629-L633 WeakPolarHBondContact O-CG 3.25Å; S629-L633 PolarHBondContact O-N 3.49Å; S629-Y644 WeakPolarHBondContact CB-OH 3.32Å; S629-Y644 PolarHBondContact OG-OH 2.79Å; S629-L649 WeakPolarHBondContact OG-CD1 3.27Å |
| 630 | E | 96.1 | Very high | 95.3 | Very high | 40 Ų | 40 | 45.7 Ų | 45.7 | 19% | 0.187 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -57.4 | -46.6 | -172.8 | 177.6 | 172.1 | -159.1 | 0 | 0 | 111.5 | L571 L626 K627 D632 L633 L634 | L571-E630 HydrophobicContact CB-CG 4.34Å; L626-E630 PolarHBondContact O-N 2.78Å; K627-E630 PolarHBondContact O-N 3.11Å; E630-D632 PolarHBondContact O-N 3.3Å; E630-L633 PolarHBondContact O-N 2.71Å; E630-L634 HydrophobicContact CG-CD1 3.81Å; E630-L634 HydrophobicContact CG-CG 4.32Å; E630-L634 WeakPolarHBondContact O-CB 3.41Å; E630-L634 WeakPolarHBondContact O-CG 3.23Å; E630-L634 PolarHBondContact O-N 3.35Å |
| 631 | Q | 94.9 | Very high | 95.2 | Very high | 148 Ų | 148 | 44.6 Ų | 44.6 | 69% | 0.692 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -63.4 | -41.8 | 179.7 | -61.9 | -59 | -37 | 0 | 0 | 112.3 | S629 | S629-Q631 VanDerWaalsContact C-N 3.34Å; S629-Q631 PolarHBondContact O-N 2.93Å |
| 632 | D | 94.8 | Very high | 94.9 | Very high | 66 Ų | 66 | 46.6 Ų | 46.6 | 35% | 0.353 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -68.3 | -37.7 | -179.8 | -61.1 | -33.2 | 0 | 0 | 0 | 111.5 | S629 E630 S635 Q636 Y644 | S629-D632 PolarHBondContact O-N 3.3Å; E630-D632 PolarHBondContact O-N 3.3Å; D632-S635 PolarHBondContact O-OG 2.75Å; D632-S635 VanDerWaalsContact O-OG 3.04Å; D632-Q636 VanDerWaalsContact O-CG 3.27Å; D632-Q636 WeakPolarHBondContact O-CG 3.34Å; D632-Q636 PolarHBondContact O-NE2 2.81Å; D632-Y644 HydrophobicContact CB-CD2 4.22Å; D632-Y644 HydrophobicContact CB-CE2 3.41Å; D632-Y644 VanDerWaalsContact CB-CE2 3.41Å; D632-Y644 PolarHBondContact OD2-OH 2.87Å |
| 633 | L | 96.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -76.7 | -34.8 | -178.1 | -72.7 | 166.9 | 0 | 0 | 0 | 112.9 | L571 H574 F575 L626 S629 E630 S635 Q636 A641 Y644 F645 | L571-L633 HydrophobicContact CD1-CB 3.68Å; L571-L633 HydrophobicContact CD1-CD1 4.26Å; L571-L633 HydrophobicContact CD2-CD1 4.2Å; H574-L633 PolarHBondContact NE2-O 2.7Å; F575-L633 HydrophobicContact CE1-CB 4.39Å; F575-L633 HydrophobicContact CZ-CD1 4.12Å; F575-L633 HydrophobicContact CZ-CD2 4.42Å; L626-L633 HydrophobicContact CD2-CD1 4.25Å; S629-L633 WeakPolarHBondContact O-CB 3.24Å; S629-L633 WeakPolarHBondContact O-CG 3.25Å; S629-L633 PolarHBondContact O-N 3.49Å; E630-L633 PolarHBondContact O-N 2.71Å; L633-S635 PolarHBondContact O-N 3.12Å; L633-Q636 PolarHBondContact O-N 3.37Å; L633-Q636 VanDerWaalsContact O-N 3.14Å; L633-A641 HydrophobicContact CD2-CB 4.41Å; L633-Y644 HydrophobicContact CD2-CD1 3.74Å; L633-Y644 HydrophobicContact CD2-CE1 4.38Å; L633-Y644 HydrophobicContact CD2-CG 4.15Å; L633-Y644 HydrophobicContact CG-CD1 4.21Å; L633-Y644 HydrophobicContact CG-CE1 4.36Å; L633-F645 HydrophobicContact CD1-CE1 4.19Å; L633-F645 HydrophobicContact CD1-CZ 3.96Å; L633-F645 HydrophobicContact CD2-CE1 4.4Å; L633-F645 HydrophobicContact CD2-CE2 4.06Å; L633-F645 HydrophobicContact CD2-CZ 3.96Å |
| 634 | L | 96.5 | Very high | 94.4 | Very high | 49 Ų | 49 | 51.1 Ų | 51.1 | 26% | 0.257 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -64.2 | -23.6 | 177.3 | -75.5 | 172.3 | 0 | 0 | 0 | 112.9 | T570 L571 H574 E630 | T570-L634 HydrophobicContact CG2-CD1 4.08Å; T570-L634 HydrophobicContact CG2-CD2 4.02Å; L571-L634 HydrophobicContact CD1-CD2 4.33Å; L571-L634 HydrophobicContact CD1-CG 4.39Å; H574-L634 HydrophobicContact CB-CD2 3.69Å; E630-L634 HydrophobicContact CG-CD1 3.81Å; E630-L634 HydrophobicContact CG-CG 4.32Å; E630-L634 WeakPolarHBondContact O-CB 3.41Å; E630-L634 WeakPolarHBondContact O-CG 3.23Å; E630-L634 PolarHBondContact O-N 3.35Å |
| 635 | S | 94 | Very high | 94.1 | Very high | 90 Ų | 90 | 51.8 Ų | 51.8 | 63% | 0.629 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | -3.6 | 176.3 | 72.2 | 0 | 0 | 0 | 0 | 114.3 | D632 L633 | D632-S635 PolarHBondContact O-OG 2.75Å; D632-S635 VanDerWaalsContact O-OG 3.04Å; L633-S635 PolarHBondContact O-N 3.12Å |
| 636 | Q | 94.3 | Very high | 93.6 | Very high | 61 Ų | 61 | 58.2 Ų | 58.2 | 29% | 0.285 | 29% | 0.29 | S | S | . | . | trans | -92.9 | 155 | 180 | -53.7 | -51 | -52.5 | 0 | 0 | 111.9 | H574 L578 D632 L633 A641 | H574-Q636 PolarHBondContact NE2-O 3.48Å; L578-Q636 WeakPolarHBondContact CD1-O 3.28Å; D632-Q636 VanDerWaalsContact O-CG 3.27Å; D632-Q636 WeakPolarHBondContact O-CG 3.34Å; D632-Q636 PolarHBondContact O-NE2 2.81Å; L633-Q636 PolarHBondContact O-N 3.37Å; L633-Q636 VanDerWaalsContact O-N 3.14Å; Q636-A641 HydrophobicContact CB-CB 4.22Å | ||
| 637 | D | 94 | Very high | 93.1 | Very high | 97 Ų | 97 | 58.4 Ų | 58.4 | 52% | 0.519 | 29% | 0.291 | S | S | . | . | trans | -86.3 | -172.1 | 160.7 | 65 | 7.7 | 0 | 0 | 0 | 111.1 | E639 G640 A641 | D637-E639 PolarHBondContact O-N 3Å; D637-E639 PolarHBondContact OD1-N 3.37Å; D637-G640 PolarHBondContact O-N 3.43Å; D637-G640 WeakPolarHBondContact OD1-CA 3.27Å; D637-G640 PolarHBondContact OD1-N 2.93Å; D637-A641 VanDerWaalsContact O-CB 3.29Å; D637-A641 WeakPolarHBondContact O-CB 2.87Å; D637-A641 PolarHBondContact O-N 2.82Å | ||
| 638 | F | 91.8 | Very high | 92.9 | Very high | 87 Ų | 87 | 56 Ų | 56 | 38% | 0.382 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -56.8 | -47.9 | -179.4 | 177.2 | -95.1 | 0 | 0 | 0 | 112.7 | L578 V580 M584 L642 | L578-F638 WeakPolarHBondContact O-CD2 3.28Å; V580-F638 HydrophobicContact CG2-CD2 3.66Å; V580-F638 HydrophobicContact CG2-CE2 4.19Å; M584-F638 HydrophobicContact CE-CE2 4.36Å; M584-F638 HydrophobicContact SD-CE2 3.8Å; M584-F638 HydrophobicContact SD-CZ 4Å; F638-L642 HydrophobicContact CD1-CD1 4.33Å; F638-L642 HydrophobicContact CE1-CD1 3.69Å; F638-L642 HydrophobicContact CE2-CD1 4.3Å; F638-L642 HydrophobicContact CZ-CD1 3.68Å; F638-L642 WeakPolarHBondContact O-CG 3.48Å; F638-L642 PolarHBondContact O-N 3.42Å |
| 639 | E | 89.2 | Confident | 92.8 | Very high | 148 Ų | 148 | 54 Ų | 54 | 69% | 0.692 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -70.9 | -43.2 | -178.1 | -173.8 | 177.1 | 171.5 | 0 | 0 | 111.6 | D637 A641 L642 K643 | D637-E639 PolarHBondContact O-N 3Å; D637-E639 PolarHBondContact OD1-N 3.37Å; E639-A641 VanDerWaalsContact C-N 3.33Å; E639-A641 PolarHBondContact O-N 3.22Å; E639-L642 PolarHBondContact O-N 3.13Å; E639-K643 WeakPolarHBondContact O-CB 3.19Å; E639-K643 PolarHBondContact O-N 3.07Å |
| 640 | G | 92.2 | Very high | 92.6 | Very high | 13 Ų | 13 | 54 Ų | 54 | 13% | 0.134 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60 | -41 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | D637 K643 Y644 | D637-G640 PolarHBondContact O-N 3.43Å; D637-G640 WeakPolarHBondContact OD1-CA 3.27Å; D637-G640 PolarHBondContact OD1-N 2.93Å; G640-K643 PolarHBondContact O-N 2.85Å; G640-Y644 VanDerWaalsContact O-CB 3.31Å; G640-Y644 WeakPolarHBondContact O-CB 3.15Å; G640-Y644 PolarHBondContact O-N 3.09Å |
| 641 | A | 93.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.9 | -47.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | V580 L633 Q636 D637 E639 K643 Y644 F645 | V580-A641 HydrophobicContact CG2-CB 4.49Å; L633-A641 HydrophobicContact CD2-CB 4.41Å; Q636-A641 HydrophobicContact CB-CB 4.22Å; D637-A641 VanDerWaalsContact O-CB 3.29Å; D637-A641 WeakPolarHBondContact O-CB 2.87Å; D637-A641 PolarHBondContact O-N 2.82Å; E639-A641 VanDerWaalsContact C-N 3.33Å; E639-A641 PolarHBondContact O-N 3.22Å; A641-K643 PolarHBondContact O-N 3.15Å; A641-Y644 WeakPolarHBondContact O-CB 3.37Å; A641-Y644 PolarHBondContact O-N 3.19Å; A641-F645 WeakPolarHBondContact O-CD2 3.46Å; A641-F645 PolarHBondContact O-N 2.82Å; A641-F645 VanDerWaalsContact O-N 3.07Å |
| 642 | L | 90.2 | Very high | 92.1 | Very high | 41 Ų | 41 | 52.1 Ų | 52.1 | 22% | 0.215 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66.1 | -37.9 | 177.8 | -64.7 | -177.6 | 0 | 0 | 0 | 112.4 | M584 F638 E639 R646 | M584-L642 HydrophobicContact CB-CD2 3.99Å; F638-L642 HydrophobicContact CD1-CD1 4.33Å; F638-L642 HydrophobicContact CE1-CD1 3.69Å; F638-L642 HydrophobicContact CE2-CD1 4.3Å; F638-L642 HydrophobicContact CZ-CD1 3.68Å; F638-L642 WeakPolarHBondContact O-CG 3.48Å; F638-L642 PolarHBondContact O-N 3.42Å; E639-L642 PolarHBondContact O-N 3.13Å; L642-R646 WeakPolarHBondContact O-CB 3.37Å; L642-R646 PolarHBondContact O-N 3.37Å |
| 643 | K | 89.7 | Confident | 92 | Very high | 70 Ų | 70 | 49.3 Ų | 49.3 | 30% | 0.304 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63.9 | -42.2 | 173.3 | -174.8 | 176.9 | 176.5 | 179 | 0 | 111.1 | D359 E639 G640 A641 R646 V647 | D359-K643 VanDerWaalsContact OD1-CE 3.24Å; D359-K643 WeakPolarHBondContact OD1-CE 3.23Å; D359-K643 IonicContact OD1-NZ 2.79Å; D359-K643 PolarHBondContact OD1-NZ 3.45Å; D359-K643 IonicContact OD2-NZ 3.86Å; D359-K643 PolarHBondContact OD2-NZ 2.91Å; E639-K643 WeakPolarHBondContact O-CB 3.19Å; E639-K643 PolarHBondContact O-N 3.07Å; G640-K643 PolarHBondContact O-N 2.85Å; A641-K643 PolarHBondContact O-N 3.15Å; K643-R646 PolarHBondContact O-N 3.27Å; K643-V647 HydrophobicContact CG-CG2 4.49Å; K643-V647 PolarHBondContact O-N 3.03Å |
| 644 | Y | 94.7 | Very high | 91.5 | Very high | 25 Ų | 25 | 53.3 Ų | 53.3 | 10% | 0.098 | 26% | 0.259 | C | S | . | . | I | π-helix | trans | -59 | -48.9 | 177.6 | -174.6 | -84.2 | 0 | 0 | 0 | 111.5 | S629 D632 L633 G640 A641 R646 V647 A648 L649 | S629-Y644 WeakPolarHBondContact CB-OH 3.32Å; S629-Y644 PolarHBondContact OG-OH 2.79Å; D632-Y644 HydrophobicContact CB-CD2 4.22Å; D632-Y644 HydrophobicContact CB-CE2 3.41Å; D632-Y644 VanDerWaalsContact CB-CE2 3.41Å; D632-Y644 PolarHBondContact OD2-OH 2.87Å; L633-Y644 HydrophobicContact CD2-CD1 3.74Å; L633-Y644 HydrophobicContact CD2-CE1 4.38Å; L633-Y644 HydrophobicContact CD2-CG 4.15Å; L633-Y644 HydrophobicContact CG-CD1 4.21Å; L633-Y644 HydrophobicContact CG-CE1 4.36Å; G640-Y644 VanDerWaalsContact O-CB 3.31Å; G640-Y644 WeakPolarHBondContact O-CB 3.15Å; G640-Y644 PolarHBondContact O-N 3.09Å; A641-Y644 WeakPolarHBondContact O-CB 3.37Å; A641-Y644 PolarHBondContact O-N 3.19Å; Y644-R646 VanDerWaalsContact C-N 3.27Å; Y644-R646 PolarHBondContact O-N 3.45Å; Y644-V647 PolarHBondContact O-N 3.32Å; Y644-A648 HydrophobicContact CD2-CB 3.68Å; Y644-A648 HydrophobicContact CE2-CB 3.87Å; Y644-A648 HydrophobicContact CG-CB 4.15Å; Y644-A648 PolarHBondContact O-N 3.43Å; Y644-A648 VanDerWaalsContact O-N 3.11Å; Y644-L649 HydrophobicContact CD1-CB 4.06Å; Y644-L649 HydrophobicContact CE1-CB 3.85Å; Y644-L649 HydrophobicContact CE1-CD1 4.1Å; Y644-L649 WeakPolarHBondContact O-CB 3.44Å; Y644-L649 PolarHBondContact O-N 3.35Å |
| 645 | F | 91.8 | Very high | 90.8 | Very high | 15 Ų | 15 | 54.6 Ų | 54.6 | 7% | 0.066 | 27% | 0.269 | C | S | . | . | I | π-helix | trans | -59.8 | -36.4 | 176.9 | -74.5 | -58.3 | 0 | 0 | 0 | 113.3 | F575 F585 W589 L626 L633 A641 L649 P650 | F575-F645 HydrophobicContact CE2-CE2 4.26Å; F575-F645 HydrophobicContact CE2-CZ 4Å; F575-F645 AromaticContact CZ-CE2 3.92Å; F575-F645 HydrophobicContact CZ-CE2 3.92Å; F575-F645 AromaticContact CZ-CZ 3.71Å; F575-F645 HydrophobicContact CZ-CZ 3.71Å; F585-F645 HydrophobicContact CB-CB 4.22Å; F585-F645 HydrophobicContact CB-CD1 4.3Å; F585-F645 HydrophobicContact CB-CD2 3.55Å; F585-F645 HydrophobicContact CB-CE2 3.9Å; F585-F645 HydrophobicContact CB-CG 3.78Å; F585-F645 HydrophobicContact CB-CZ 4.41Å; F585-F645 HydrophobicContact CD1-CD2 4.37Å; F585-F645 AromaticContact CD1-CE2 3.88Å; F585-F645 HydrophobicContact CD1-CE2 3.88Å; F585-F645 HydrophobicContact CD1-CZ 4.27Å; F585-F645 HydrophobicContact CD2-CD1 4.44Å; F585-F645 HydrophobicContact CD2-CE1 4.09Å; F585-F645 HydrophobicContact CD2-CE2 4.24Å; F585-F645 AromaticContact CD2-CZ 3.97Å; F585-F645 HydrophobicContact CD2-CZ 3.97Å; F585-F645 HydrophobicContact CE1-CE2 4.48Å; F585-F645 HydrophobicContact CE2-CZ 4.31Å; F585-F645 AromaticContact CG-CD2 3.95Å; F585-F645 HydrophobicContact CG-CD2 3.95Å; F585-F645 HydrophobicContact CG-CE1 4.37Å; F585-F645 AromaticContact CG-CE2 3.74Å; F585-F645 HydrophobicContact CG-CE2 3.74Å; F585-F645 HydrophobicContact CG-CG 4.35Å; F585-F645 AromaticContact CG-CZ 3.96Å; F585-F645 HydrophobicContact CG-CZ 3.96Å; W589-F645 HydrophobicContact CH2-CD1 4.06Å; W589-F645 AromaticContact CH2-CE1 3.81Å; W589-F645 HydrophobicContact CH2-CE1 3.81Å; W589-F645 AromaticContact CZ2-CD1 3.8Å; W589-F645 HydrophobicContact CZ2-CD1 3.8Å; W589-F645 HydrophobicContact CZ2-CE1 4.04Å; L626-F645 HydrophobicContact CD2-CE1 3.81Å; L626-F645 HydrophobicContact CD2-CZ 3.73Å; L633-F645 HydrophobicContact CD1-CE1 4.19Å; L633-F645 HydrophobicContact CD1-CZ 3.96Å; L633-F645 HydrophobicContact CD2-CE1 4.4Å; L633-F645 HydrophobicContact CD2-CE2 4.06Å; L633-F645 HydrophobicContact CD2-CZ 3.96Å; A641-F645 WeakPolarHBondContact O-CD2 3.46Å; A641-F645 PolarHBondContact O-N 2.82Å; A641-F645 VanDerWaalsContact O-N 3.07Å; F645-L649 HydrophobicContact CD1-CD2 3.7Å; F645-L649 HydrophobicContact CE1-CD2 4.22Å; F645-P650 WeakPolarHBondContact O-CD 3.49Å |
| 646 | R | 86.2 | Confident | 90.3 | Very high | 134 Ų | 134 | 53.5 Ų | 53.5 | 51% | 0.506 | 25% | 0.254 | S | S | . | . | I | π-helix | trans | -79.1 | -33.8 | -176.4 | -175.6 | 173 | 65.7 | -128.9 | 1.6 | 113.5 | P361 L642 K643 Y644 | P361-R646 HydrophobicContact CB-CG 4.25Å; L642-R646 WeakPolarHBondContact O-CB 3.37Å; L642-R646 PolarHBondContact O-N 3.37Å; K643-R646 PolarHBondContact O-N 3.27Å; Y644-R646 VanDerWaalsContact C-N 3.27Å; Y644-R646 PolarHBondContact O-N 3.45Å |
| 647 | V | 88.3 | Confident | 90 | Very high | 5 Ų | 5 | 54 Ų | 54 | 3% | 0.03 | 27% | 0.268 | C | S | . | . | I | π-helix | trans | -121.4 | -60.8 | -166.9 | -176 | 0 | 0 | 0 | 0 | 112.5 | S358 D359 K643 Y644 R651 | S358-V647 WeakPolarHBondContact O-CG1 3.42Å; D359-V647 WeakPolarHBondContact O-CG2 3.44Å; K643-V647 HydrophobicContact CG-CG2 4.49Å; K643-V647 PolarHBondContact O-N 3.03Å; Y644-V647 PolarHBondContact O-N 3.32Å; V647-R651 WeakPolarHBondContact O-CG 3.16Å |
| 648 | A | 92.1 | Very high | 89.8 | Confident | 43 Ų | 43 | 53.3 Ų | 53.3 | 36% | 0.355 | 26% | 0.263 | S | S | . | . | I | π-helix | trans | -71.2 | -43.6 | -171.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y644 R651 K652 | Y644-A648 HydrophobicContact CD2-CB 3.68Å; Y644-A648 HydrophobicContact CE2-CB 3.87Å; Y644-A648 HydrophobicContact CG-CB 4.15Å; Y644-A648 PolarHBondContact O-N 3.43Å; Y644-A648 VanDerWaalsContact O-N 3.11Å; A648-R651 PolarHBondContact O-N 3.21Å; A648-K652 PolarHBondContact O-N 3.22Å |
| 649 | L | 93.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61 | -49.5 | -174.8 | 179.3 | 68.8 | 0 | 0 | 0 | 112.8 | W589 F598 L625 S629 Y644 F645 R651 K652 Y653 | W589-L649 HydrophobicContact CH2-CD2 4.49Å; W589-L649 HydrophobicContact CZ2-CD2 3.98Å; F598-L649 HydrophobicContact CE1-CD2 4.45Å; F598-L649 HydrophobicContact CE1-CG 4.14Å; F598-L649 HydrophobicContact CZ-CD2 4.05Å; F598-L649 HydrophobicContact CZ-CG 4.22Å; L625-L649 HydrophobicContact CD2-CD1 4.02Å; L625-L649 HydrophobicContact CD2-CD2 4.5Å; L625-L649 HydrophobicContact CD2-CG 4.39Å; S629-L649 WeakPolarHBondContact OG-CD1 3.27Å; Y644-L649 HydrophobicContact CD1-CB 4.06Å; Y644-L649 HydrophobicContact CE1-CB 3.85Å; Y644-L649 HydrophobicContact CE1-CD1 4.1Å; Y644-L649 WeakPolarHBondContact O-CB 3.44Å; Y644-L649 PolarHBondContact O-N 3.35Å; F645-L649 HydrophobicContact CD1-CD2 3.7Å; F645-L649 HydrophobicContact CE1-CD2 4.22Å; L649-R651 VanDerWaalsContact C-N 3.34Å; L649-R651 PolarHBondContact O-N 3.4Å; L649-K652 WeakPolarHBondContact O-CB 3.35Å; L649-K652 PolarHBondContact O-N 2.72Å; L649-Y653 HydrophobicContact CD1-CE2 3.82Å; L649-Y653 WeakPolarHBondContact O-CD2 3.47Å |
| 650 | P | 91.7 | Very high | 89.7 | Confident | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.006 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.3 | -35.6 | 177.7 | -23.8 | 35.3 | 0 | 0 | 0 | 113.8 | L362 K597 F598 P599 F645 K652 Y653 | L362-P650 HydrophobicContact CD2-CB 4.47Å; K597-P650 HydrophobicContact CB-CG 4.38Å; K597-P650 VanDerWaalsContact O-CB 3.28Å; K597-P650 WeakPolarHBondContact O-CB 3.41Å; F598-P650 HydrophobicContact CD1-CB 4.28Å; F598-P650 HydrophobicContact CE1-CB 4.48Å; F598-P650 HydrophobicContact CE1-CG 4.46Å; P599-P650 WeakPolarHBondContact CD-O 3.46Å; P599-P650 WeakPolarHBondContact CG-O 3.44Å; F645-P650 WeakPolarHBondContact O-CD 3.49Å; P650-K652 VanDerWaalsContact C-N 3.28Å; P650-K652 PolarHBondContact O-N 2.92Å; P650-Y653 PolarHBondContact O-N 3.46Å |
| 651 | R | 89.6 | Confident | 89.8 | Confident | 65 Ų | 65 | 51.9 Ų | 51.9 | 25% | 0.245 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.2 | -32.1 | -179.9 | -74.2 | 177.8 | 175.9 | -99.7 | 3 | 112.5 | N354 D357 E360 L362 V647 A648 L649 Y653 R654 | N354-R651 PolarHBondContact O-NH1 3.39Å; N354-R651 VanDerWaalsContact O-NH1 3.12Å; D357-R651 PolarHBondContact O-NH2 3.07Å; D357-R651 VanDerWaalsContact O-NH2 3.08Å; E360-R651 PolarHBondContact O-NE 3.01Å; E360-R651 PolarHBondContact O-NH2 2.8Å; L362-R651 HydrophobicContact CB-CG 4.26Å; L362-R651 HydrophobicContact CD1-CG 4.47Å; V647-R651 WeakPolarHBondContact O-CG 3.16Å; A648-R651 PolarHBondContact O-N 3.21Å; L649-R651 VanDerWaalsContact C-N 3.34Å; L649-R651 PolarHBondContact O-N 3.4Å; R651-Y653 PolarHBondContact O-N 3.18Å; R651-R654 PolarHBondContact O-N 3.42Å |
| 652 | K | 90.6 | Very high | 89.8 | Confident | 84 Ų | 84 | 52.1 Ų | 52.1 | 37% | 0.365 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59.4 | -28.7 | 179.4 | -168.5 | 172.4 | -178.6 | 172.2 | 0 | 113.4 | A628 A648 L649 P650 | A628-K652 PolarHBondContact O-NZ 3.42Å; A648-K652 PolarHBondContact O-N 3.22Å; L649-K652 WeakPolarHBondContact O-CB 3.35Å; L649-K652 PolarHBondContact O-N 2.72Å; P650-K652 VanDerWaalsContact C-N 3.28Å; P650-K652 PolarHBondContact O-N 2.92Å |
| 653 | Y | 91.8 | Very high | 89.9 | Confident | 8 Ų | 8 | 50.4 Ų | 50.4 | 3% | 0.031 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | 25.4 | -174.8 | -57 | -74.9 | 0 | 0 | 0 | 113.8 | F598 P599 M602 L625 A628 L649 P650 R651 T655 M658 L662 | F598-Y653 HydrophobicContact CD1-CD2 4.42Å; F598-Y653 HydrophobicContact CE1-CD2 4.26Å; P599-Y653 WeakPolarHBondContact CG-O 3.4Å; M602-Y653 VanDerWaalsContact SD-CB 3.53Å; M602-Y653 HydrophobicContact SD-CD1 4.4Å; M602-Y653 HydrophobicContact SD-CD2 3.98Å; M602-Y653 HydrophobicContact SD-CG 3.71Å; L625-Y653 HydrophobicContact CD2-CD2 3.94Å; L625-Y653 HydrophobicContact CD2-CE2 3.24Å; A628-Y653 WeakPolarHBondContact CB-OH 3.22Å; L649-Y653 HydrophobicContact CD1-CE2 3.82Å; L649-Y653 WeakPolarHBondContact O-CD2 3.47Å; P650-Y653 PolarHBondContact O-N 3.46Å; R651-Y653 PolarHBondContact O-N 3.18Å; Y653-T655 VanDerWaalsContact C-N 3.27Å; Y653-T655 PolarHBondContact O-N 2.93Å; Y653-M658 HydrophobicContact CD1-CB 4.14Å; Y653-L662 HydrophobicContact CD1-CB 4.07Å; Y653-L662 HydrophobicContact CD1-CD2 4.03Å; Y653-L662 HydrophobicContact CE1-CB 3.71Å; Y653-L662 HydrophobicContact CE1-CD1 3.95Å; Y653-L662 HydrophobicContact CE1-CD2 3.87Å; Y653-L662 HydrophobicContact CE1-CG 4.05Å; Y653-L662 HydrophobicContact CE2-CD2 4.42Å; Y653-L662 HydrophobicContact CG-CD2 4.39Å |
| 654 | R | 85 | Confident | 90 | Very high | 83 Ų | 83 | 50.6 Ų | 50.6 | 31% | 0.313 | 25% | 0.247 | S | C | . | . | trans | -66.8 | -26.8 | -179.9 | -169.1 | 178.7 | -175.5 | 160.5 | 9.3 | 113.5 | P599 R651 | P599-R654 HydrophobicContact CG-CB 4.39Å; R651-R654 PolarHBondContact O-N 3.42Å | ||
| 655 | T | 83.3 | Confident | 90 | Very high | 77 Ų | 77 | 50.7 Ų | 50.7 | 47% | 0.472 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -97.2 | 144.7 | -179.8 | 61.9 | 0 | 0 | 0 | 0 | 110.9 | Y653 A657 M658 A659 | Y653-T655 VanDerWaalsContact C-N 3.27Å; Y653-T655 PolarHBondContact O-N 2.93Å; T655-A657 PolarHBondContact O-N 3.09Å; T655-M658 PolarHBondContact O-N 3.11Å; T655-M658 VanDerWaalsContact OG1-CG 3.25Å; T655-M658 WeakPolarHBondContact OG1-CG 3.35Å; T655-A659 PolarHBondContact O-N 3.46Å; T655-A659 VanDerWaalsContact O-N 3.15Å |
| 656 | E | 83.4 | Confident | 90.1 | Very high | 67 Ų | 67 | 50 Ų | 50 | 31% | 0.313 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -58.9 | -34.9 | 179.1 | -169.9 | -173.1 | 163.8 | 0 | 0 | 112.3 | S601 A659 K660 | S601-E656 WeakPolarHBondContact OG-CA 3.43Å; E656-A659 PolarHBondContact O-N 3.09Å; E656-K660 HydrophobicContact CG-CD 4.4Å; E656-K660 WeakPolarHBondContact O-CG 3.32Å; E656-K660 PolarHBondContact O-N 3.34Å; E656-K660 WeakPolarHBondContact OE1-CE 3.35Å; E656-K660 IonicContact OE1-NZ 2.67Å; E656-K660 PolarHBondContact OE1-NZ 3.04Å |
| 657 | A | 87 | Confident | 90.2 | Very high | 71 Ų | 71 | 45 Ų | 45 | 59% | 0.587 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -61 | -46.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | T655 K660 E661 | T655-A657 PolarHBondContact O-N 3.09Å; A657-K660 PolarHBondContact O-N 2.68Å; A657-E661 PolarHBondContact O-N 3.37Å |
| 658 | M | 90.4 | Very high | 90.3 | Very high | 82 Ų | 82 | 51 Ų | 51 | 40% | 0.404 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -67.8 | -37.6 | 178.2 | -67.1 | -67.7 | 169.5 | 0 | 0 | 111.4 | Y653 T655 E661 L662 | Y653-M658 HydrophobicContact CD1-CB 4.14Å; T655-M658 PolarHBondContact O-N 3.11Å; T655-M658 VanDerWaalsContact OG1-CG 3.25Å; T655-M658 WeakPolarHBondContact OG1-CG 3.35Å; M658-E661 PolarHBondContact O-N 3.34Å; M658-L662 PolarHBondContact O-N 3.18Å |
| 659 | A | 90.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.2 | -47.8 | 174 | 0 | 0 | 0 | 0 | 0 | 111.3 | M602 T655 E656 E661 L662 I663 | M602-A659 HydrophobicContact CB-CB 3.86Å; M602-A659 HydrophobicContact CG-CB 4.46Å; T655-A659 PolarHBondContact O-N 3.46Å; T655-A659 VanDerWaalsContact O-N 3.15Å; E656-A659 PolarHBondContact O-N 3.09Å; A659-E661 PolarHBondContact O-N 3.23Å; A659-L662 WeakPolarHBondContact O-CB 3.36Å; A659-L662 PolarHBondContact O-N 3.38Å; A659-I663 VanDerWaalsContact O-CG1 3.3Å; A659-I663 WeakPolarHBondContact O-CG1 3.24Å; A659-I663 PolarHBondContact O-N 3.28Å |
| 660 | K | 89.7 | Confident | 89.9 | Confident | 84 Ų | 84 | 60.2 Ų | 60.2 | 37% | 0.365 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.9 | -41.9 | 176.8 | -76.1 | 178.7 | 179.7 | 168.7 | 0 | 112.5 | E656 A657 L662 I663 Q664 | E656-K660 HydrophobicContact CG-CD 4.4Å; E656-K660 WeakPolarHBondContact O-CG 3.32Å; E656-K660 PolarHBondContact O-N 3.34Å; E656-K660 WeakPolarHBondContact OE1-CE 3.35Å; E656-K660 IonicContact OE1-NZ 2.67Å; E656-K660 PolarHBondContact OE1-NZ 3.04Å; A657-K660 PolarHBondContact O-N 2.68Å; K660-L662 VanDerWaalsContact C-N 3.33Å; K660-L662 PolarHBondContact O-N 3.02Å; K660-I663 PolarHBondContact O-N 3.37Å; K660-Q664 WeakPolarHBondContact O-CG 3.36Å; K660-Q664 PolarHBondContact O-N 2.9Å |
| 661 | E | 92.4 | Very high | 89.8 | Confident | 134 Ų | 134 | 60.8 Ų | 60.8 | 63% | 0.626 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -60.3 | -42.9 | 176.1 | -171.7 | 178.8 | 171 | 0 | 0 | 111.8 | A657 M658 A659 I663 Q664 C665 | A657-E661 PolarHBondContact O-N 3.37Å; M658-E661 PolarHBondContact O-N 3.34Å; A659-E661 PolarHBondContact O-N 3.23Å; E661-I663 PolarHBondContact O-N 3.05Å; E661-Q664 PolarHBondContact O-N 3.18Å; E661-C665 PolarHBondContact O-N 2.95Å |
| 662 | L | 94.3 | Very high | 89.5 | Confident | 6 Ų | 6 | 59.6 Ų | 59.6 | 3% | 0.031 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.1 | -45.7 | 175.4 | -178.8 | 69.8 | 0 | 0 | 0 | 112 | M602 A624 L625 Y653 M658 A659 K660 Q664 C665 A666 | M602-L662 HydrophobicContact CE-CD2 3.32Å; M602-L662 HydrophobicContact CG-CD2 4.38Å; M602-L662 HydrophobicContact SD-CD2 3.66Å; A624-L662 HydrophobicContact CB-CD1 3.64Å; A624-L662 HydrophobicContact CB-CG 4.39Å; L625-L662 HydrophobicContact CD2-CD1 3.96Å; L625-L662 HydrophobicContact CD2-CD2 3.62Å; L625-L662 HydrophobicContact CD2-CG 4.46Å; L625-L662 HydrophobicContact CG-CD1 4.16Å; L625-L662 HydrophobicContact CG-CD2 4.09Å; Y653-L662 HydrophobicContact CD1-CB 4.07Å; Y653-L662 HydrophobicContact CD1-CD2 4.03Å; Y653-L662 HydrophobicContact CE1-CB 3.71Å; Y653-L662 HydrophobicContact CE1-CD1 3.95Å; Y653-L662 HydrophobicContact CE1-CD2 3.87Å; Y653-L662 HydrophobicContact CE1-CG 4.05Å; Y653-L662 HydrophobicContact CE2-CD2 4.42Å; Y653-L662 HydrophobicContact CG-CD2 4.39Å; M658-L662 PolarHBondContact O-N 3.18Å; A659-L662 WeakPolarHBondContact O-CB 3.36Å; A659-L662 PolarHBondContact O-N 3.38Å; K660-L662 VanDerWaalsContact C-N 3.33Å; K660-L662 PolarHBondContact O-N 3.02Å; L662-Q664 VanDerWaalsContact C-N 3.34Å; L662-Q664 PolarHBondContact O-N 3.36Å; L662-C665 WeakPolarHBondContact O-CB 3.27Å; L662-C665 PolarHBondContact O-N 3.13Å; L662-A666 WeakPolarHBondContact O-CB 3.34Å; L662-A666 PolarHBondContact O-N 3.28Å |
| 663 | I | 92.2 | Very high | 89.3 | Confident | 4 Ų | 4 | 62.1 Ų | 62.1 | 2% | 0.021 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.3 | -44.2 | 178.7 | -65.4 | -63.7 | 0 | 0 | 0 | 110.9 | H605 I606 L609 I621 A659 K660 E661 C665 A666 V667 | H605-I663 HydrophobicContact CB-CD1 3.86Å; H605-I663 HydrophobicContact CB-CG1 3.79Å; I606-I663 HydrophobicContact CG1-CD1 4.33Å; L609-I663 HydrophobicContact CD1-CD1 3.83Å; L609-I663 HydrophobicContact CD1-CG2 3.87Å; L609-I663 HydrophobicContact CG-CG2 4.48Å; I621-I663 HydrophobicContact CD1-CD1 3.64Å; A659-I663 VanDerWaalsContact O-CG1 3.3Å; A659-I663 WeakPolarHBondContact O-CG1 3.24Å; A659-I663 PolarHBondContact O-N 3.28Å; K660-I663 PolarHBondContact O-N 3.37Å; E661-I663 PolarHBondContact O-N 3.05Å; I663-C665 VanDerWaalsContact C-N 3.28Å; I663-C665 PolarHBondContact O-N 3.1Å; I663-A666 WeakPolarHBondContact O-CB 3.24Å; I663-A666 PolarHBondContact O-N 3.37Å; I663-A666 VanDerWaalsContact O-N 3.15Å; I663-V667 PolarHBondContact O-N 3.13Å; I663-V667 VanDerWaalsContact O-N 3.14Å |
| 664 | Q | 91.8 | Very high | 89.3 | Confident | 75 Ų | 75 | 70.7 Ų | 70.7 | 35% | 0.35 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64.5 | -32.3 | 176.4 | -67.5 | -63.6 | -19 | 0 | 0 | 112.5 | R404 N405 K660 E661 L662 V667 Q668 | R404-Q664 PolarHBondContact O-NE2 2.88Å; N405-Q664 PolarHBondContact OD1-NE2 2.96Å; K660-Q664 WeakPolarHBondContact O-CG 3.36Å; K660-Q664 PolarHBondContact O-N 2.9Å; E661-Q664 PolarHBondContact O-N 3.18Å; L662-Q664 VanDerWaalsContact C-N 3.34Å; L662-Q664 PolarHBondContact O-N 3.36Å; Q664-V667 VanDerWaalsContact O-CG2 3.26Å; Q664-V667 WeakPolarHBondContact O-CG2 3.34Å; Q664-Q668 WeakPolarHBondContact O-CG 3.33Å; Q664-Q668 PolarHBondContact O-NE2 3.35Å |
| 665 | C | 94 | Very high | 89.6 | Confident | 27 Ų | 27 | 69 Ų | 69 | 18% | 0.182 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -69.5 | -42.5 | 171.2 | -174.1 | 0 | 0 | 0 | 0 | 111.8 | A624 E661 L662 I663 V667 Q668 | A624-C665 HydrophobicContact CB-CB 4.35Å; E661-C665 PolarHBondContact O-N 2.95Å; L662-C665 WeakPolarHBondContact O-CB 3.27Å; L662-C665 PolarHBondContact O-N 3.13Å; I663-C665 VanDerWaalsContact C-N 3.28Å; I663-C665 PolarHBondContact O-N 3.1Å; C665-V667 PolarHBondContact O-N 3.38Å; C665-Q668 WeakPolarHBondContact O-CB 3.45Å; C665-Q668 PolarHBondContact O-N 2.84Å |
| 666 | A | 94.7 | Very high | 90.1 | Very high | 1 Ų | 1 | 65.7 Ų | 65.7 | 1% | 0.008 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.9 | -42.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | H620 I621 A624 L662 I663 Q668 F669 | H620-A666 HydrophobicContact CB-CB 4.15Å; H620-A666 PolarHBondContact ND1-O 3.34Å; H620-A666 VanDerWaalsContact ND1-O 3.07Å; I621-A666 HydrophobicContact CD1-CB 3.78Å; A624-A666 HydrophobicContact CB-CB 3.76Å; L662-A666 WeakPolarHBondContact O-CB 3.34Å; L662-A666 PolarHBondContact O-N 3.28Å; I663-A666 WeakPolarHBondContact O-CB 3.24Å; I663-A666 PolarHBondContact O-N 3.37Å; I663-A666 VanDerWaalsContact O-N 3.15Å; A666-Q668 PolarHBondContact O-N 3.42Å; A666-F669 PolarHBondContact O-N 3.43Å |
| 667 | V | 89 | Confident | 90.6 | Very high | 28 Ų | 28 | 64.4 Ų | 64.4 | 17% | 0.17 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -13.1 | 180 | -61.3 | 0 | 0 | 0 | 0 | 113.8 | R404 L609 I663 Q664 C665 | R404-V667 HydrophobicContact CG-CG1 4.01Å; L609-V667 HydrophobicContact CD2-CG1 4.48Å; I663-V667 PolarHBondContact O-N 3.13Å; I663-V667 VanDerWaalsContact O-N 3.14Å; Q664-V667 VanDerWaalsContact O-CG2 3.26Å; Q664-V667 WeakPolarHBondContact O-CG2 3.34Å; C665-V667 PolarHBondContact O-N 3.38Å |
| 668 | Q | 90.6 | Very high | 91 | Very high | 132 Ų | 132 | 66.5 Ų | 66.5 | 62% | 0.617 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -22.8 | 177.4 | -67.7 | 172.7 | 14.7 | 0 | 0 | 113.1 | Q664 C665 A666 R670 | Q664-Q668 WeakPolarHBondContact O-CG 3.33Å; Q664-Q668 PolarHBondContact O-NE2 3.35Å; C665-Q668 WeakPolarHBondContact O-CB 3.45Å; C665-Q668 PolarHBondContact O-N 2.84Å; A666-Q668 PolarHBondContact O-N 3.42Å; Q668-R670 PolarHBondContact O-N 3.49Å |
| 669 | F | 91 | Very high | 91.2 | Very high | 15 Ų | 15 | 63.9 Ų | 63.9 | 7% | 0.066 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -67.1 | 128.7 | 177 | -70.7 | -82.1 | 0 | 0 | 0 | 110.2 | Y567 H620 L623 A624 K627 A666 I671 | Y567-F669 AromaticContact CD1-CD1 3.95Å; Y567-F669 HydrophobicContact CD1-CD1 3.95Å; Y567-F669 HydrophobicContact CD1-CE1 4.26Å; Y567-F669 HydrophobicContact CD2-CD1 4.27Å; Y567-F669 HydrophobicContact CE1-CD1 4.24Å; Y567-F669 AromaticContact CG-CD1 3.96Å; Y567-F669 HydrophobicContact CG-CD1 3.96Å; Y567-F669 HydrophobicContact CG-CE1 4.13Å; H620-F669 PolarHBondContact CE1-O 3.13Å; H620-F669 PolarHBondContact ND1-O 2.94Å; L623-F669 HydrophobicContact CB-CD1 4.23Å; L623-F669 HydrophobicContact CB-CD2 4.17Å; L623-F669 HydrophobicContact CB-CE1 3.96Å; L623-F669 HydrophobicContact CB-CE2 3.92Å; L623-F669 HydrophobicContact CB-CG 4.32Å; L623-F669 HydrophobicContact CB-CZ 3.78Å; L623-F669 HydrophobicContact CD1-CD1 4.02Å; L623-F669 HydrophobicContact CD1-CE1 4.38Å; L623-F669 HydrophobicContact CD1-CG 4.28Å; A624-F669 HydrophobicContact CB-CE2 4.06Å; K627-F669 HydrophobicContact CB-CZ 4.1Å; K627-F669 HydrophobicContact CD-CE1 4.28Å; K627-F669 HydrophobicContact CD-CE2 4.4Å; K627-F669 HydrophobicContact CD-CZ 3.58Å; K627-F669 HydrophobicContact CG-CZ 4.48Å; A666-F669 PolarHBondContact O-N 3.43Å; F669-I671 HydrophobicContact CB-CD1 4.41Å; F669-I671 HydrophobicContact CB-CG1 4.14Å; F669-I671 PolarHBondContact O-N 3.05Å |
| 670 | R | 85.9 | Confident | 91.5 | Very high | 220 Ų | 220 | 67.1 Ų | 67.1 | 83% | 0.83 | 32% | 0.315 | S | S | * | . | trans | -93.4 | 75.5 | -179.9 | -66 | -175 | -177.9 | 178 | 0.9 | 110.8 | Y567 Q668 G672 | Y567-R670 PolarHBondContact OH-O 3.05Å; Q668-R670 PolarHBondContact O-N 3.49Å; R670-G672 PolarHBondContact O-N 3.27Å | ||
| 671 | I | 88.8 | Confident | 91.8 | Very high | 14 Ų | 14 | 69 Ų | 69 | 7% | 0.072 | 33% | 0.325 | C | S | . | . | trans | -90.1 | 86 | 178.1 | -49.3 | 178.5 | 0 | 0 | 0 | 108.8 | L563 F619 L623 F669 I676 | L563-I671 HydrophobicContact CD1-CD1 4.32Å; L563-I671 HydrophobicContact CD1-CG2 4.48Å; L563-I671 HydrophobicContact CD2-CG1 4.47Å; L563-I671 HydrophobicContact CD2-CG2 4.24Å; F619-I671 HydrophobicContact CB-CD1 3.7Å; L623-I671 HydrophobicContact CD1-CD1 3.77Å; L623-I671 HydrophobicContact CD1-CG1 4.43Å; F669-I671 HydrophobicContact CB-CD1 4.41Å; F669-I671 HydrophobicContact CB-CG1 4.14Å; F669-I671 PolarHBondContact O-N 3.05Å; I671-I676 HydrophobicContact CG2-CD1 3.58Å; I671-I676 HydrophobicContact CG2-CG1 3.59Å | ||
| 672 | G | 83.6 | Confident | 91.9 | Very high | 40 Ų | 40 | 65.6 Ų | 65.6 | 41% | 0.412 | 31% | 0.311 | S | S | . | . | trans | -71.4 | 141.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | R670 K674 K675 I676 | R670-G672 PolarHBondContact O-N 3.27Å; G672-K674 PolarHBondContact O-N 3.33Å; G672-K674 VanDerWaalsContact O-N 3.15Å; G672-K675 WeakPolarHBondContact O-CB 3.32Å; G672-K675 PolarHBondContact O-N 3.04Å; G672-I676 PolarHBondContact O-N 3.08Å | ||
| 673 | H | 86.7 | Confident | 92 | Very high | 136 Ų | 136 | 66.4 Ų | 66.4 | 63% | 0.63 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -49.4 | -42.9 | 177.3 | -171.8 | -70.8 | 0 | 0 | 0 | 112.6 | K675 I676 T677 | H673-K675 PolarHBondContact O-N 2.59Å; H673-K675 VanDerWaalsContact O-N 3.15Å; H673-I676 PolarHBondContact O-N 2.79Å; H673-T677 PolarHBondContact CE1-OG1 3.35Å; H673-T677 VanDerWaalsContact CE1-OG1 3.24Å; H673-T677 PolarHBondContact ND1-OG1 3.26Å; H673-T677 PolarHBondContact O-N 2.82Å; H673-T677 PolarHBondContact O-OG1 3.38Å |
| 674 | K | 90.9 | Very high | 92 | Very high | 188 Ų | 188 | 70.1 Ų | 70.1 | 82% | 0.817 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -54.8 | -34.4 | 177.2 | -65.6 | -175.2 | 177.4 | -176.6 | 0 | 113.5 | G672 K678 | G672-K674 PolarHBondContact O-N 3.33Å; G672-K674 VanDerWaalsContact O-N 3.15Å; K674-K678 WeakPolarHBondContact O-CB 3.14Å; K674-K678 PolarHBondContact O-N 3.02Å |
| 675 | K | 91.6 | Very high | 92 | Very high | 49 Ų | 49 | 69.9 Ų | 69.9 | 21% | 0.213 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -74 | -43.1 | -178.7 | -160.5 | -179.7 | -146.3 | 177 | 0 | 111.4 | L563 H566 G672 H673 K678 Y679 | L563-K675 HydrophobicContact CD2-CD 4.43Å; H566-K675 PolarHBondContact CD2-NZ 3.33Å; H566-K675 PolarHBondContact CE1-NZ 2.94Å; H566-K675 VanDerWaalsContact CG-NZ 3.32Å; H566-K675 PolarHBondContact ND1-NZ 3.33Å; H566-K675 PolarHBondContact NE2-NZ 3.25Å; G672-K675 WeakPolarHBondContact O-CB 3.32Å; G672-K675 PolarHBondContact O-N 3.04Å; H673-K675 PolarHBondContact O-N 2.59Å; H673-K675 VanDerWaalsContact O-N 3.15Å; K675-K678 PolarHBondContact O-N 3.15Å; K675-Y679 HydrophobicContact CD-CE2 4.2Å; K675-Y679 WeakPolarHBondContact CE-OH 3.49Å; K675-Y679 HydrophobicContact CG-CD2 4.49Å; K675-Y679 HydrophobicContact CG-CE2 3.81Å; K675-Y679 WeakPolarHBondContact O-CD2 3.14Å; K675-Y679 PolarHBondContact O-N 3.25Å; K675-Y679 VanDerWaalsContact O-N 3.07Å |
| 676 | I | 93.6 | Very high | 91.9 | Very high | 7 Ų | 7 | 71.5 Ų | 71.5 | 4% | 0.036 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64.4 | -46.1 | 176.7 | -64.1 | -59.6 | 0 | 0 | 0 | 110.5 | Q559 L563 F619 I671 G672 H673 K678 Y679 E680 | Q559-I676 VanDerWaalsContact NE2-CG2 3.3Å; Q559-I676 PolarHBondContact NE2-O 3.3Å; L563-I676 HydrophobicContact CD1-CD1 3.91Å; L563-I676 HydrophobicContact CD2-CD1 4.5Å; F619-I676 HydrophobicContact CD2-CD1 4.2Å; F619-I676 HydrophobicContact CE2-CD1 4.22Å; I671-I676 HydrophobicContact CG2-CD1 3.58Å; I671-I676 HydrophobicContact CG2-CG1 3.59Å; G672-I676 PolarHBondContact O-N 3.08Å; H673-I676 PolarHBondContact O-N 2.79Å; I676-K678 VanDerWaalsContact C-N 3.33Å; I676-K678 PolarHBondContact O-N 3.18Å; I676-Y679 PolarHBondContact O-N 3.2Å; I676-E680 PolarHBondContact O-N 2.99Å |
| 677 | T | 93.7 | Very high | 91.6 | Very high | 39 Ų | 39 | 76 Ų | 76 | 24% | 0.239 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -59.7 | -42.5 | 175.2 | -52 | 0 | 0 | 0 | 0 | 111.7 | H673 Y679 E680 E681 | H673-T677 PolarHBondContact CE1-OG1 3.35Å; H673-T677 VanDerWaalsContact CE1-OG1 3.24Å; H673-T677 PolarHBondContact ND1-OG1 3.26Å; H673-T677 PolarHBondContact O-N 2.82Å; H673-T677 PolarHBondContact O-OG1 3.38Å; T677-Y679 PolarHBondContact O-N 3.22Å; T677-E680 WeakPolarHBondContact O-CB 3.42Å; T677-E680 PolarHBondContact O-N 3.04Å; T677-E680 VanDerWaalsContact O-N 3.14Å; T677-E681 WeakPolarHBondContact O-CG 3.48Å; T677-E681 PolarHBondContact O-N 3.32Å |
| 678 | K | 95.5 | Very high | 91.5 | Very high | 116 Ų | 116 | 80.8 Ų | 80.8 | 50% | 0.504 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -59.6 | -45.2 | 174.6 | -179 | 178.9 | 176.4 | 178.1 | 0 | 112.2 | K674 K675 I676 E680 E681 D682 | K674-K678 WeakPolarHBondContact O-CB 3.14Å; K674-K678 PolarHBondContact O-N 3.02Å; K675-K678 PolarHBondContact O-N 3.15Å; I676-K678 VanDerWaalsContact C-N 3.33Å; I676-K678 PolarHBondContact O-N 3.18Å; K678-E680 PolarHBondContact O-N 3.18Å; K678-E681 PolarHBondContact O-N 3.27Å; K678-D682 VanDerWaalsContact O-CG 3.24Å; K678-D682 PolarHBondContact O-N 3.35Å |
| 679 | Y | 96.1 | Very high | 91.4 | Very high | 27 Ų | 27 | 79.4 Ų | 79.4 | 11% | 0.106 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -66.2 | -26.5 | 177.5 | -65 | -29.5 | 0 | 0 | 0 | 113 | F558 R562 L563 K675 I676 T677 F683 | F558-Y679 WeakPolarHBondContact CD1-O 3.49Å; F558-Y679 VanDerWaalsContact CE1-O 3.24Å; F558-Y679 WeakPolarHBondContact CE1-O 3.29Å; R562-Y679 HydrophobicContact CB-CD1 3.9Å; R562-Y679 HydrophobicContact CB-CD2 3.78Å; R562-Y679 HydrophobicContact CB-CE1 3.75Å; R562-Y679 HydrophobicContact CB-CE2 3.63Å; R562-Y679 HydrophobicContact CB-CG 3.93Å; R562-Y679 HydrophobicContact CG-CD1 4.01Å; R562-Y679 HydrophobicContact CG-CE1 4.18Å; R562-Y679 HydrophobicContact CG-CG 4.21Å; L563-Y679 HydrophobicContact CD2-CE2 4.07Å; L563-Y679 HydrophobicContact CG-CE2 4.16Å; K675-Y679 HydrophobicContact CD-CE2 4.2Å; K675-Y679 WeakPolarHBondContact CE-OH 3.49Å; K675-Y679 HydrophobicContact CG-CD2 4.49Å; K675-Y679 HydrophobicContact CG-CE2 3.81Å; K675-Y679 WeakPolarHBondContact O-CD2 3.14Å; K675-Y679 PolarHBondContact O-N 3.25Å; K675-Y679 VanDerWaalsContact O-N 3.07Å; I676-Y679 PolarHBondContact O-N 3.2Å; T677-Y679 PolarHBondContact O-N 3.22Å; Y679-F683 WeakPolarHBondContact O-CB 3.47Å; Y679-F683 PolarHBondContact O-N 3.47Å |
| 680 | E | 95.5 | Very high | 91 | Very high | 68 Ų | 68 | 82.3 Ų | 82.3 | 32% | 0.318 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -69.7 | -45.8 | 171.2 | 177 | 171 | -172.2 | 0 | 0 | 112.3 | L555 I676 T677 K678 D682 F683 I684 | L555-E680 HydrophobicContact CD1-CB 3.91Å; L555-E680 HydrophobicContact CD1-CG 4.04Å; L555-E680 HydrophobicContact CD2-CB 4.37Å; L555-E680 HydrophobicContact CD2-CG 3.76Å; I676-E680 PolarHBondContact O-N 2.99Å; T677-E680 WeakPolarHBondContact O-CB 3.42Å; T677-E680 PolarHBondContact O-N 3.04Å; T677-E680 VanDerWaalsContact O-N 3.14Å; K678-E680 PolarHBondContact O-N 3.18Å; E680-D682 VanDerWaalsContact C-N 3.33Å; E680-D682 PolarHBondContact O-N 2.95Å; E680-F683 PolarHBondContact O-N 2.85Å; E680-I684 HydrophobicContact CG-CD1 3.98Å; E680-I684 VanDerWaalsContact O-CG1 3.31Å; E680-I684 WeakPolarHBondContact O-CG1 3.29Å; E680-I684 PolarHBondContact O-N 3.11Å |
| 681 | E | 95.6 | Very high | 90.6 | Very high | 123 Ų | 123 | 73.9 Ų | 73.9 | 58% | 0.575 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -57.1 | -46.2 | 172.3 | -67.5 | 168.1 | -178.4 | 0 | 0 | 111.4 | T677 K678 F683 I684 E685 | T677-E681 WeakPolarHBondContact O-CG 3.48Å; T677-E681 PolarHBondContact O-N 3.32Å; K678-E681 PolarHBondContact O-N 3.27Å; E681-F683 VanDerWaalsContact C-N 3.32Å; E681-F683 PolarHBondContact O-N 3.31Å; E681-I684 PolarHBondContact O-N 3.08Å; E681-E685 WeakPolarHBondContact O-CB 3.45Å; E681-E685 PolarHBondContact O-N 3.42Å |
| 682 | D | 95.9 | Very high | 90.1 | Very high | 63 Ų | 63 | 79.9 Ų | 79.9 | 34% | 0.337 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -60.3 | -39.7 | 177.5 | -67.8 | -21.8 | 0 | 0 | 0 | 111.8 | F558 K678 E680 M686 | F558-D682 HydrophobicContact CE1-CB 4.11Å; F558-D682 HydrophobicContact CZ-CB 4.26Å; K678-D682 VanDerWaalsContact O-CG 3.24Å; K678-D682 PolarHBondContact O-N 3.35Å; E680-D682 VanDerWaalsContact C-N 3.33Å; E680-D682 PolarHBondContact O-N 2.95Å; D682-M686 WeakPolarHBondContact O-CB 3.41Å; D682-M686 PolarHBondContact O-N 3.48Å |
| 683 | F | 94.8 | Very high | 89.9 | Confident | 23 Ų | 23 | 82.6 Ų | 82.6 | 10% | 0.101 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -69.4 | -44.4 | 178.7 | 179.3 | -100.9 | 0 | 0 | 0 | 112.2 | H554 L555 F558 Y679 E680 E681 E685 M686 K687 | H554-F683 HydrophobicContact CB-CZ 4.17Å; L555-F683 HydrophobicContact CB-CD1 3.86Å; L555-F683 HydrophobicContact CB-CE1 3.84Å; L555-F683 HydrophobicContact CB-CG 4.46Å; L555-F683 HydrophobicContact CB-CZ 4.42Å; L555-F683 HydrophobicContact CD1-CB 3.73Å; L555-F683 HydrophobicContact CD1-CD1 3.76Å; L555-F683 HydrophobicContact CD1-CG 3.85Å; L555-F683 HydrophobicContact CG-CD1 4.37Å; F558-F683 HydrophobicContact CB-CD2 3.59Å; F558-F683 HydrophobicContact CB-CE2 4.07Å; F558-F683 HydrophobicContact CB-CG 4.37Å; F558-F683 HydrophobicContact CD1-CB 3.75Å; F558-F683 HydrophobicContact CD1-CD2 4.1Å; F558-F683 HydrophobicContact CD1-CG 4.35Å; F558-F683 AromaticContact CD2-CD2 3.9Å; F558-F683 HydrophobicContact CD2-CD2 3.9Å; F558-F683 HydrophobicContact CE1-CB 3.97Å; F558-F683 HydrophobicContact CG-CB 4.17Å; F558-F683 AromaticContact CG-CD2 3.61Å; F558-F683 HydrophobicContact CG-CD2 3.61Å; F558-F683 HydrophobicContact CG-CE2 4.47Å; F558-F683 HydrophobicContact CG-CG 4.3Å; Y679-F683 WeakPolarHBondContact O-CB 3.47Å; Y679-F683 PolarHBondContact O-N 3.47Å; E680-F683 PolarHBondContact O-N 2.85Å; E681-F683 VanDerWaalsContact C-N 3.32Å; E681-F683 PolarHBondContact O-N 3.31Å; F683-E685 VanDerWaalsContact C-N 3.31Å; F683-E685 PolarHBondContact O-N 3.27Å; F683-M686 HydrophobicContact CD2-CE 3.86Å; F683-M686 HydrophobicContact CE2-CE 3.99Å; F683-M686 PolarHBondContact O-N 3.27Å; F683-K687 HydrophobicContact CD1-CG 4.33Å; F683-K687 HydrophobicContact CE1-CG 3.94Å; F683-K687 HydrophobicContact CE2-CG 4.33Å; F683-K687 HydrophobicContact CZ-CD 4.37Å; F683-K687 HydrophobicContact CZ-CG 3.95Å; F683-K687 WeakPolarHBondContact O-CG 3.31Å; F683-K687 PolarHBondContact O-N 2.91Å |
| 684 | I | 92.3 | Very high | 88.9 | Confident | 82 Ų | 82 | 79.6 Ų | 79.6 | 42% | 0.421 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62.4 | -42.9 | 178.1 | -67.7 | 166.1 | 0 | 0 | 0 | 110 | E680 E681 K687 R688 | E680-I684 HydrophobicContact CG-CD1 3.98Å; E680-I684 VanDerWaalsContact O-CG1 3.31Å; E680-I684 WeakPolarHBondContact O-CG1 3.29Å; E680-I684 PolarHBondContact O-N 3.11Å; E681-I684 PolarHBondContact O-N 3.08Å; I684-K687 PolarHBondContact O-N 2.61Å; I684-R688 WeakPolarHBondContact O-CB 3.36Å; I684-R688 PolarHBondContact O-N 3.32Å |
| 685 | E | 92.5 | Very high | 88.1 | Confident | 70 Ų | 70 | 74.3 Ų | 74.3 | 33% | 0.327 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64.7 | -43.7 | 176.6 | -178.2 | 57.8 | -157.4 | 0 | 0 | 111.8 | E681 F683 K687 R688 Q689 | E681-E685 WeakPolarHBondContact O-CB 3.45Å; E681-E685 PolarHBondContact O-N 3.42Å; F683-E685 VanDerWaalsContact C-N 3.31Å; F683-E685 PolarHBondContact O-N 3.27Å; E685-K687 VanDerWaalsContact C-N 3.34Å; E685-K687 PolarHBondContact O-N 3.41Å; E685-R688 WeakPolarHBondContact O-CB 3.44Å; E685-R688 PolarHBondContact O-N 3.45Å; E685-R688 IonicContact OE2-CZ 3.16Å; E685-R688 IonicContact OE2-NE 3.89Å; E685-R688 IonicContact OE2-NH1 2.77Å; E685-R688 PolarHBondContact OE2-NH1 3.21Å; E685-Q689 WeakPolarHBondContact O-CG 3.12Å; E685-Q689 PolarHBondContact O-N 3.46Å; E685-Q689 PolarHBondContact OE1-NE2 2.97Å |
| 686 | M | 91.8 | Very high | 87.1 | Confident | 61 Ų | 61 | 76 Ų | 76 | 30% | 0.3 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -58 | -45.5 | 174.2 | -175.8 | -169.2 | 78.1 | 0 | 0 | 111.5 | F558 D682 F683 R688 Q689 E690 | F558-M686 HydrophobicContact CD2-CE 4.45Å; F558-M686 HydrophobicContact CE2-CE 4.41Å; F558-M686 HydrophobicContact CE2-SD 3.96Å; D682-M686 WeakPolarHBondContact O-CB 3.41Å; D682-M686 PolarHBondContact O-N 3.48Å; F683-M686 HydrophobicContact CD2-CE 3.86Å; F683-M686 HydrophobicContact CE2-CE 3.99Å; F683-M686 PolarHBondContact O-N 3.27Å; M686-R688 VanDerWaalsContact C-N 3.35Å; M686-R688 PolarHBondContact O-N 2.95Å; M686-Q689 PolarHBondContact O-N 3.42Å; M686-E690 WeakPolarHBondContact O-CB 3.44Å; M686-E690 WeakPolarHBondContact O-CG 3.44Å; M686-E690 PolarHBondContact O-N 3.29Å |
| 687 | K | 87.4 | Confident | 86.1 | Confident | 95 Ų | 95 | 80.7 Ų | 80.7 | 41% | 0.413 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -65.1 | -36.6 | 177.4 | -75.6 | -73.3 | 164.2 | -150.3 | 0 | 112.9 | F683 I684 E685 E690 A691 | F683-K687 HydrophobicContact CD1-CG 4.33Å; F683-K687 HydrophobicContact CE1-CG 3.94Å; F683-K687 HydrophobicContact CE2-CG 4.33Å; F683-K687 HydrophobicContact CZ-CD 4.37Å; F683-K687 HydrophobicContact CZ-CG 3.95Å; F683-K687 WeakPolarHBondContact O-CG 3.31Å; F683-K687 PolarHBondContact O-N 2.91Å; I684-K687 PolarHBondContact O-N 2.61Å; E685-K687 VanDerWaalsContact C-N 3.34Å; E685-K687 PolarHBondContact O-N 3.41Å; K687-E690 IonicContact NZ-OE2 2.7Å; K687-E690 PolarHBondContact NZ-OE2 3.11Å; K687-A691 WeakPolarHBondContact O-CB 3.41Å; K687-A691 PolarHBondContact O-N 3.24Å |
| 688 | R | 87.3 | Confident | 85.3 | Confident | 128 Ų | 128 | 83.7 Ų | 83.7 | 48% | 0.483 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -62.8 | -48.6 | 173.8 | -174.9 | -171.8 | -60.7 | 155.4 | -1.6 | 111.2 | I684 E685 M686 E690 A691 E692 | I684-R688 WeakPolarHBondContact O-CB 3.36Å; I684-R688 PolarHBondContact O-N 3.32Å; E685-R688 WeakPolarHBondContact O-CB 3.44Å; E685-R688 PolarHBondContact O-N 3.45Å; E685-R688 IonicContact OE2-CZ 3.16Å; E685-R688 IonicContact OE2-NE 3.89Å; E685-R688 IonicContact OE2-NH1 2.77Å; E685-R688 PolarHBondContact OE2-NH1 3.21Å; M686-R688 VanDerWaalsContact C-N 3.35Å; M686-R688 PolarHBondContact O-N 2.95Å; R688-E690 PolarHBondContact O-N 2.86Å; R688-A691 WeakPolarHBondContact O-CB 3.48Å; R688-A691 PolarHBondContact O-N 2.91Å; R688-A691 VanDerWaalsContact O-N 3.1Å; R688-E692 WeakPolarHBondContact CG-OE1 3.5Å; R688-E692 WeakPolarHBondContact O-CG 3.44Å; R688-E692 PolarHBondContact O-N 2.67Å |
| 689 | Q | 88.8 | Confident | 84.2 | Confident | 104 Ų | 104 | 83.8 Ų | 83.8 | 49% | 0.486 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -63.6 | -40.7 | 177.8 | -68.4 | 175.1 | 9.3 | 0 | 0 | 112.1 | E685 M686 A691 E692 S693 | E685-Q689 WeakPolarHBondContact O-CG 3.12Å; E685-Q689 PolarHBondContact O-N 3.46Å; E685-Q689 PolarHBondContact OE1-NE2 2.97Å; M686-Q689 PolarHBondContact O-N 3.42Å; Q689-A691 VanDerWaalsContact C-N 3.28Å; Q689-A691 PolarHBondContact O-N 2.8Å; Q689-E692 PolarHBondContact O-N 2.66Å; Q689-S693 WeakPolarHBondContact O-CB 3.29Å; Q689-S693 PolarHBondContact O-N 3.48Å; Q689-S693 PolarHBondContact O-OG 3.42Å; Q689-S693 VanDerWaalsContact O-OG 3.09Å |
| 690 | E | 82.7 | Confident | 83.3 | Confident | 75 Ų | 75 | 89 Ų | 89 | 35% | 0.35 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -59.8 | -37 | 171.8 | -77.2 | 175.7 | -173.5 | 0 | 0 | 112 | M686 K687 R688 S693 Q694 | M686-E690 WeakPolarHBondContact O-CB 3.44Å; M686-E690 WeakPolarHBondContact O-CG 3.44Å; M686-E690 PolarHBondContact O-N 3.29Å; K687-E690 IonicContact NZ-OE2 2.7Å; K687-E690 PolarHBondContact NZ-OE2 3.11Å; R688-E690 PolarHBondContact O-N 2.86Å; E690-S693 PolarHBondContact O-OG 3.46Å; E690-S693 VanDerWaalsContact O-OG 3.13Å; E690-Q694 WeakPolarHBondContact O-CG 3.09Å; E690-Q694 PolarHBondContact O-NE2 3.07Å |
| 691 | A | 77.9 | Confident | 82.5 | Confident | 44 Ų | 44 | 91.2 Ų | 91.2 | 36% | 0.364 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -74.5 | -35.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113 | K687 R688 Q689 | K687-A691 WeakPolarHBondContact O-CB 3.41Å; K687-A691 PolarHBondContact O-N 3.24Å; R688-A691 WeakPolarHBondContact O-CB 3.48Å; R688-A691 PolarHBondContact O-N 2.91Å; R688-A691 VanDerWaalsContact O-N 3.1Å; Q689-A691 VanDerWaalsContact C-N 3.28Å; Q689-A691 PolarHBondContact O-N 2.8Å |
| 692 | E | 79 | Confident | 81.6 | Confident | 139 Ų | 139 | 91.4 Ų | 91.4 | 65% | 0.65 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -75.5 | -33.1 | 178.4 | -73.1 | 174.7 | -175.8 | 0 | 0 | 113.2 | R688 Q689 Q694 | R688-E692 WeakPolarHBondContact CG-OE1 3.5Å; R688-E692 WeakPolarHBondContact O-CG 3.44Å; R688-E692 PolarHBondContact O-N 2.67Å; Q689-E692 PolarHBondContact O-N 2.66Å; E692-Q694 VanDerWaalsContact C-N 3.28Å; E692-Q694 PolarHBondContact O-N 3.4Å |
| 693 | S | 77.6 | Confident | 80.6 | Confident | 98 Ų | 98 | 92.5 Ų | 92.5 | 69% | 0.685 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -73.1 | -17.9 | 178.2 | 63.7 | 0 | 0 | 0 | 0 | 113.9 | Q689 E690 | Q689-S693 WeakPolarHBondContact O-CB 3.29Å; Q689-S693 PolarHBondContact O-N 3.48Å; Q689-S693 PolarHBondContact O-OG 3.42Å; Q689-S693 VanDerWaalsContact O-OG 3.09Å; E690-S693 PolarHBondContact O-OG 3.46Å; E690-S693 VanDerWaalsContact O-OG 3.13Å |
| 694 | Q | 66.2 | Low | 79.7 | Confident | 72 Ų | 72 | 95.5 Ų | 95.5 | 34% | 0.336 | 46% | 0.46 | S | S | . | . | S | Bend | trans | -75.1 | 126.4 | 177.3 | -75 | 174 | 55.4 | 0 | 0 | 110.3 | E690 E692 P696 | E690-Q694 WeakPolarHBondContact O-CG 3.09Å; E690-Q694 PolarHBondContact O-NE2 3.07Å; E692-Q694 VanDerWaalsContact C-N 3.28Å; E692-Q694 PolarHBondContact O-N 3.4Å; Q694-P696 WeakPolarHBondContact O-CD 3.29Å; Q694-P696 VanDerWaalsContact O-N 3.12Å |
| 695 | N | 73.5 | Confident | 79.3 | Confident | 78 Ų | 78 | 96.5 Ų | 96.5 | 42% | 0.417 | 47% | 0.466 | S | S | . | . | trans | -52.9 | 121.1 | 174.1 | -178.9 | -21 | 0 | 0 | 0 | 108.8 | L697 E698 R699 | N695-L697 PolarHBondContact O-N 3.38Å; N695-L697 WeakPolarHBondContact OD1-CB 3.41Å; N695-L697 PolarHBondContact OD1-N 3.41Å; N695-E698 HydrophobicContact CB-CB 4.11Å; N695-E698 HydrophobicContact CB-CG 3.92Å; N695-E698 PolarHBondContact O-N 3.2Å; N695-R699 PolarHBondContact O-N 3.14Å | ||
| 696 | P | 71.2 | Confident | 78.7 | Confident | 84 Ų | 84 | 99.6 Ų | 99.6 | 55% | 0.545 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -52.1 | -35.6 | -177.5 | -28.8 | 34.6 | 0 | 0 | 0 | 112.5 | Q694 Y700 | Q694-P696 WeakPolarHBondContact O-CD 3.29Å; Q694-P696 VanDerWaalsContact O-N 3.12Å; P696-Y700 HydrophobicContact CB-CD2 4.44Å; P696-Y700 HydrophobicContact CB-CE2 4.27Å; P696-Y700 WeakPolarHBondContact O-CB 3.49Å; P696-Y700 WeakPolarHBondContact O-CD2 3.15Å; P696-Y700 VanDerWaalsContact O-CG 3.31Å; P696-Y700 PolarHBondContact O-N 2.86Å |
| 697 | L | 73.3 | Confident | 78 | Confident | 106 Ų | 106 | 101.1 Ų | 101.1 | 56% | 0.555 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -66.2 | -43.8 | 177.1 | -169.1 | 69.3 | 0 | 0 | 0 | 112 | N695 Y700 Q701 | N695-L697 PolarHBondContact O-N 3.38Å; N695-L697 WeakPolarHBondContact OD1-CB 3.41Å; N695-L697 PolarHBondContact OD1-N 3.41Å; L697-Y700 PolarHBondContact O-N 3.26Å; L697-Q701 VanDerWaalsContact O-CB 3.26Å; L697-Q701 WeakPolarHBondContact O-CB 3.39Å; L697-Q701 WeakPolarHBondContact O-CG 3.32Å; L697-Q701 PolarHBondContact O-N 3.23Å |
| 698 | E | 76.2 | Confident | 77.7 | Confident | 101 Ų | 101 | 102.8 Ų | 102.8 | 47% | 0.472 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.4 | -39.7 | 177.6 | -69.1 | 179.8 | -177.5 | 0 | 0 | 111.6 | N695 Q701 R702 | N695-E698 HydrophobicContact CB-CB 4.11Å; N695-E698 HydrophobicContact CB-CG 3.92Å; N695-E698 PolarHBondContact O-N 3.2Å; E698-Q701 PolarHBondContact O-N 3.15Å; E698-R702 WeakPolarHBondContact O-CB 3.28Å; E698-R702 PolarHBondContact O-N 3.28Å |
| 699 | R | 73.7 | Confident | 77.4 | Confident | 118 Ų | 118 | 102.2 Ų | 102.2 | 45% | 0.445 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59 | -53.1 | 172.8 | 178.6 | -177.1 | 164.5 | -177.3 | -1.7 | 110.3 | N695 Q701 R702 E703 | N695-R699 PolarHBondContact O-N 3.14Å; R699-Q701 VanDerWaalsContact C-N 3.31Å; R699-Q701 PolarHBondContact O-N 2.99Å; R699-R702 PolarHBondContact O-N 3.44Å; R699-E703 VanDerWaalsContact O-CB 3.29Å; R699-E703 WeakPolarHBondContact O-CB 3.49Å; R699-E703 PolarHBondContact O-N 3.38Å |
| 700 | Y | 76.4 | Confident | 76.6 | Confident | 138 Ų | 138 | 99.1 Ų | 99.1 | 54% | 0.541 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.3 | -32.3 | 179.4 | -71.9 | -49 | 0 | 0 | 0 | 113.1 | P696 L697 N704 | P696-Y700 HydrophobicContact CB-CD2 4.44Å; P696-Y700 HydrophobicContact CB-CE2 4.27Å; P696-Y700 WeakPolarHBondContact O-CB 3.49Å; P696-Y700 WeakPolarHBondContact O-CD2 3.15Å; P696-Y700 VanDerWaalsContact O-CG 3.31Å; P696-Y700 PolarHBondContact O-N 2.86Å; L697-Y700 PolarHBondContact O-N 3.26Å; Y700-N704 WeakPolarHBondContact O-CB 3.42Å; Y700-N704 PolarHBondContact O-N 3.24Å; Y700-N704 PolarHBondContact O-ND2 3.37Å |
| 701 | Q | 78.5 | Confident | 76.3 | Confident | 114 Ų | 114 | 99.9 Ų | 99.9 | 53% | 0.533 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67.9 | -45.1 | 174.1 | -79.7 | 173.3 | -6.8 | 0 | 0 | 111.3 | L697 E698 R699 N704 L705 | L697-Q701 VanDerWaalsContact O-CB 3.26Å; L697-Q701 WeakPolarHBondContact O-CB 3.39Å; L697-Q701 WeakPolarHBondContact O-CG 3.32Å; L697-Q701 PolarHBondContact O-N 3.23Å; E698-Q701 PolarHBondContact O-N 3.15Å; R699-Q701 VanDerWaalsContact C-N 3.31Å; R699-Q701 PolarHBondContact O-N 2.99Å; Q701-N704 PolarHBondContact O-N 3.09Å; Q701-L705 WeakPolarHBondContact O-CB 3.2Å; Q701-L705 PolarHBondContact O-N 3.14Å |
| 702 | R | 76.3 | Confident | 76.5 | Confident | 126 Ų | 126 | 102 Ų | 102 | 48% | 0.475 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.2 | -41.5 | 176.8 | -166 | -175.8 | -65.1 | 138.2 | 0 | 111.2 | E698 R699 L705 K706 | E698-R702 WeakPolarHBondContact O-CB 3.28Å; E698-R702 PolarHBondContact O-N 3.28Å; R699-R702 PolarHBondContact O-N 3.44Å; R702-L705 PolarHBondContact O-N 3.03Å; R702-K706 WeakPolarHBondContact O-CB 3.44Å; R702-K706 WeakPolarHBondContact O-CG 3.43Å; R702-K706 PolarHBondContact O-N 2.9Å |
| 703 | E | 75.5 | Confident | 76.7 | Confident | 87 Ų | 87 | 100.8 Ų | 100.8 | 41% | 0.407 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66.2 | -43 | 175.4 | -167.2 | 168 | -168.7 | 0 | 0 | 111.4 | R699 L705 K706 L707 | R699-E703 VanDerWaalsContact O-CB 3.29Å; R699-E703 WeakPolarHBondContact O-CB 3.49Å; R699-E703 PolarHBondContact O-N 3.38Å; E703-L705 PolarHBondContact O-N 3.37Å; E703-K706 PolarHBondContact O-N 3.31Å; E703-L707 HydrophobicContact CG-CD1 4.24Å; E703-L707 WeakPolarHBondContact O-CB 3.49Å; E703-L707 VanDerWaalsContact O-CG 3.23Å; E703-L707 WeakPolarHBondContact O-CG 3.5Å; E703-L707 PolarHBondContact O-N 3.26Å |
| 704 | N | 76.7 | Confident | 76.6 | Confident | 86 Ų | 86 | 100.1 Ų | 100.1 | 46% | 0.46 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.8 | -39.1 | 172 | -95.5 | -82.6 | 0 | 0 | 0 | 112.7 | Y700 Q701 K708 | Y700-N704 WeakPolarHBondContact O-CB 3.42Å; Y700-N704 PolarHBondContact O-N 3.24Å; Y700-N704 PolarHBondContact O-ND2 3.37Å; Q701-N704 PolarHBondContact O-N 3.09Å; N704-K708 WeakPolarHBondContact O-CB 3.43Å; N704-K708 VanDerWaalsContact O-CG 3.23Å; N704-K708 WeakPolarHBondContact O-CG 3.24Å; N704-K708 PolarHBondContact O-N 2.86Å |
| 705 | L | 82.9 | Confident | 77.2 | Confident | 102 Ų | 102 | 101.8 Ų | 101.8 | 53% | 0.534 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.5 | -48.6 | 177.7 | -161.3 | 90.3 | 0 | 0 | 0 | 110 | Q701 R702 E703 L707 K708 E709 | Q701-L705 WeakPolarHBondContact O-CB 3.2Å; Q701-L705 PolarHBondContact O-N 3.14Å; R702-L705 PolarHBondContact O-N 3.03Å; E703-L705 PolarHBondContact O-N 3.37Å; L705-L707 PolarHBondContact O-N 3.46Å; L705-K708 PolarHBondContact O-N 3.32Å; L705-E709 WeakPolarHBondContact O-CG 3.42Å; L705-E709 PolarHBondContact O-N 3Å |
| 706 | K | 79.1 | Confident | 77.6 | Confident | 136 Ų | 136 | 105.7 Ų | 105.7 | 59% | 0.591 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -57.8 | -47.4 | 174.2 | -76.3 | -177.2 | 176.5 | -170.4 | 0 | 111.8 | R702 E703 K708 E709 E710 | R702-K706 WeakPolarHBondContact O-CB 3.44Å; R702-K706 WeakPolarHBondContact O-CG 3.43Å; R702-K706 PolarHBondContact O-N 2.9Å; E703-K706 PolarHBondContact O-N 3.31Å; K706-K708 VanDerWaalsContact C-N 3.33Å; K706-K708 PolarHBondContact O-N 3.44Å; K706-E709 PolarHBondContact O-N 2.86Å; K706-E710 VanDerWaalsContact O-CB 3.29Å; K706-E710 WeakPolarHBondContact O-CB 3.22Å; K706-E710 PolarHBondContact O-N 2.69Å |
| 707 | L | 78.6 | Confident | 77.8 | Confident | 92 Ų | 92 | 106.1 Ų | 106.1 | 48% | 0.482 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.1 | -37.8 | 177.7 | -73.6 | 170.3 | 0 | 0 | 0 | 111.9 | E703 L705 E710 I711 | E703-L707 HydrophobicContact CG-CD1 4.24Å; E703-L707 WeakPolarHBondContact O-CB 3.49Å; E703-L707 VanDerWaalsContact O-CG 3.23Å; E703-L707 WeakPolarHBondContact O-CG 3.5Å; E703-L707 PolarHBondContact O-N 3.26Å; L705-L707 PolarHBondContact O-N 3.46Å; L707-E710 PolarHBondContact O-N 3.33Å; L707-I711 WeakPolarHBondContact O-CB 3.41Å; L707-I711 WeakPolarHBondContact O-CD1 3.28Å; L707-I711 WeakPolarHBondContact O-CG1 3.43Å; L707-I711 PolarHBondContact O-N 3.4Å |
| 708 | K | 81.3 | Confident | 78 | Confident | 131 Ų | 131 | 106.2 Ų | 106.2 | 57% | 0.57 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -67.5 | -43.4 | 174.9 | -78.2 | 174.6 | -178.1 | -179.6 | 0 | 112.4 | N704 L705 K706 E710 I711 L712 | N704-K708 WeakPolarHBondContact O-CB 3.43Å; N704-K708 VanDerWaalsContact O-CG 3.23Å; N704-K708 WeakPolarHBondContact O-CG 3.24Å; N704-K708 PolarHBondContact O-N 2.86Å; L705-K708 PolarHBondContact O-N 3.32Å; K706-K708 VanDerWaalsContact C-N 3.33Å; K706-K708 PolarHBondContact O-N 3.44Å; K708-E710 VanDerWaalsContact C-N 3.32Å; K708-I711 PolarHBondContact O-N 3.39Å; K708-L712 WeakPolarHBondContact O-CB 3.29Å; K708-L712 WeakPolarHBondContact O-CG 3.29Å; K708-L712 PolarHBondContact O-N 2.96Å |
| 709 | E | 80.2 | Confident | 78.3 | Confident | 115 Ų | 115 | 106.4 Ų | 106.4 | 54% | 0.537 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.4 | -42.7 | 174.2 | -74.5 | 174 | 174.3 | 0 | 0 | 111 | L705 K706 L712 R713 | L705-E709 WeakPolarHBondContact O-CG 3.42Å; L705-E709 PolarHBondContact O-N 3Å; K706-E709 PolarHBondContact O-N 2.86Å; E709-L712 PolarHBondContact O-N 3.19Å; E709-R713 WeakPolarHBondContact O-CB 3.4Å; E709-R713 PolarHBondContact O-N 3.03Å |
| 710 | E | 72.7 | Confident | 78.6 | Confident | 39 Ų | 39 | 105.6 Ų | 105.6 | 18% | 0.182 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -64.8 | -44.8 | 177 | -163.4 | 76.7 | 174.3 | 0 | 0 | 111.3 | Y503 K706 L707 K708 L712 R713 L714 | Y503-E710 PolarHBondContact OH-OE1 3.28Å; K706-E710 VanDerWaalsContact O-CB 3.29Å; K706-E710 WeakPolarHBondContact O-CB 3.22Å; K706-E710 PolarHBondContact O-N 2.69Å; L707-E710 PolarHBondContact O-N 3.33Å; K708-E710 VanDerWaalsContact C-N 3.32Å; E710-L712 VanDerWaalsContact C-N 3.34Å; E710-L712 PolarHBondContact O-N 3.24Å; E710-R713 VanDerWaalsContact CD-CZ 3.48Å; E710-R713 WeakPolarHBondContact O-CB 3.33Å; E710-R713 PolarHBondContact O-N 2.97Å; E710-R713 IonicContact OE1-CZ 3.9Å; E710-R713 IonicContact OE1-NH1 3.37Å; E710-R713 PolarHBondContact OE1-NH1 3.12Å; E710-R713 IonicContact OE1-NH2 3.39Å; E710-R713 PolarHBondContact OE1-NH2 3.12Å; E710-R713 IonicContact OE2-CZ 3.86Å; E710-R713 IonicContact OE2-NH1 3.75Å; E710-R713 PolarHBondContact OE2-NH1 2.88Å; E710-R713 IonicContact OE2-NH2 3.58Å; E710-L714 HydrophobicContact CG-CD1 4.21Å; E710-L714 WeakPolarHBondContact O-CB 3.31Å; E710-L714 VanDerWaalsContact O-CG 3.32Å; E710-L714 WeakPolarHBondContact O-CG 3.33Å; E710-L714 PolarHBondContact O-N 3.42Å |
| 711 | I | 76.5 | Confident | 78.6 | Confident | 92 Ų | 92 | 103.5 Ų | 103.5 | 47% | 0.472 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60 | -45.3 | 174.9 | -73.4 | 165.1 | 0 | 0 | 0 | 110.5 | L707 K708 R713 L714 Q715 | L707-I711 WeakPolarHBondContact O-CB 3.41Å; L707-I711 WeakPolarHBondContact O-CD1 3.28Å; L707-I711 WeakPolarHBondContact O-CG1 3.43Å; L707-I711 PolarHBondContact O-N 3.4Å; K708-I711 PolarHBondContact O-N 3.39Å; I711-R713 VanDerWaalsContact C-N 3.31Å; I711-R713 PolarHBondContact O-N 3.37Å; I711-L714 PolarHBondContact O-N 3.47Å; I711-Q715 HydrophobicContact CG2-CG 4.39Å; I711-Q715 WeakPolarHBondContact O-CB 3.47Å; I711-Q715 VanDerWaalsContact O-CG 3.24Å; I711-Q715 WeakPolarHBondContact O-CG 3.45Å; I711-Q715 PolarHBondContact O-N 2.87Å |
| 712 | L | 80.7 | Confident | 78.7 | Confident | 88 Ų | 88 | 100.2 Ų | 100.2 | 46% | 0.461 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64 | -35.5 | 176.8 | -82.8 | 161.8 | 0 | 0 | 0 | 112.3 | K708 E709 E710 R716 | K708-L712 WeakPolarHBondContact O-CB 3.29Å; K708-L712 WeakPolarHBondContact O-CG 3.29Å; K708-L712 PolarHBondContact O-N 2.96Å; E709-L712 PolarHBondContact O-N 3.19Å; E710-L712 VanDerWaalsContact C-N 3.34Å; E710-L712 PolarHBondContact O-N 3.24Å; L712-R716 WeakPolarHBondContact O-CG 3.16Å; L712-R716 PolarHBondContact O-N 3.13Å |
| 713 | R | 84.4 | Confident | 79 | Confident | 114 Ų | 114 | 98.2 Ų | 98.2 | 43% | 0.43 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67 | -51.1 | 174.5 | -169.3 | -166.6 | 82.1 | -146.1 | -5.3 | 110.7 | E709 E710 I711 Q715 R716 E717 | E709-R713 WeakPolarHBondContact O-CB 3.4Å; E709-R713 PolarHBondContact O-N 3.03Å; E710-R713 VanDerWaalsContact CD-CZ 3.48Å; E710-R713 WeakPolarHBondContact O-CB 3.33Å; E710-R713 PolarHBondContact O-N 2.97Å; E710-R713 IonicContact OE1-CZ 3.9Å; E710-R713 IonicContact OE1-NH1 3.37Å; E710-R713 PolarHBondContact OE1-NH1 3.12Å; E710-R713 IonicContact OE1-NH2 3.39Å; E710-R713 PolarHBondContact OE1-NH2 3.12Å; E710-R713 IonicContact OE2-CZ 3.86Å; E710-R713 IonicContact OE2-NH1 3.75Å; E710-R713 PolarHBondContact OE2-NH1 2.88Å; E710-R713 IonicContact OE2-NH2 3.58Å; I711-R713 VanDerWaalsContact C-N 3.31Å; I711-R713 PolarHBondContact O-N 3.37Å; R713-Q715 VanDerWaalsContact C-N 3.28Å; R713-Q715 PolarHBondContact O-N 3.21Å; R713-R716 PolarHBondContact O-N 3.28Å; R713-R716 VanDerWaalsContact O-N 3.16Å; R713-E717 WeakPolarHBondContact O-CB 3.45Å; R713-E717 PolarHBondContact O-N 3.48Å |
| 714 | L | 74.7 | Confident | 79.1 | Confident | 84 Ų | 84 | 100.3 Ų | 100.3 | 44% | 0.44 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.4 | -35.1 | 179.7 | -72.3 | 172 | 0 | 0 | 0 | 111.9 | E710 I711 N718 | E710-L714 HydrophobicContact CG-CD1 4.21Å; E710-L714 WeakPolarHBondContact O-CB 3.31Å; E710-L714 VanDerWaalsContact O-CG 3.32Å; E710-L714 WeakPolarHBondContact O-CG 3.33Å; E710-L714 PolarHBondContact O-N 3.42Å; I711-L714 PolarHBondContact O-N 3.47Å; L714-N718 VanDerWaalsContact O-CB 3.23Å; L714-N718 WeakPolarHBondContact O-CB 3.43Å; L714-N718 PolarHBondContact O-N 3Å |
| 715 | Q | 79.5 | Confident | 79.3 | Confident | 106 Ų | 106 | 102.2 Ų | 102.2 | 50% | 0.495 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.4 | -47.4 | 172.6 | -78.6 | 174.7 | -22.1 | 0 | 0 | 111.5 | I711 R713 N718 D719 | I711-Q715 HydrophobicContact CG2-CG 4.39Å; I711-Q715 WeakPolarHBondContact O-CB 3.47Å; I711-Q715 VanDerWaalsContact O-CG 3.24Å; I711-Q715 WeakPolarHBondContact O-CG 3.45Å; I711-Q715 PolarHBondContact O-N 2.87Å; R713-Q715 VanDerWaalsContact C-N 3.28Å; R713-Q715 PolarHBondContact O-N 3.21Å; Q715-N718 PolarHBondContact O-N 3.44Å; Q715-D719 WeakPolarHBondContact O-CB 3.39Å; Q715-D719 VanDerWaalsContact O-CG 3.25Å; Q715-D719 PolarHBondContact O-N 2.98Å |
| 716 | R | 81.1 | Confident | 79.5 | Confident | 160 Ų | 160 | 101.8 Ų | 101.8 | 60% | 0.604 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60.8 | -45.6 | 174.8 | -75.8 | -178 | -124.4 | 155.9 | 0.1 | 112.3 | L712 R713 N718 D719 D720 | L712-R716 WeakPolarHBondContact O-CG 3.16Å; L712-R716 PolarHBondContact O-N 3.13Å; R713-R716 PolarHBondContact O-N 3.28Å; R713-R716 VanDerWaalsContact O-N 3.16Å; R716-N718 VanDerWaalsContact C-N 3.3Å; R716-N718 PolarHBondContact O-N 3.44Å; R716-D719 PolarHBondContact O-N 3.27Å; R716-D720 WeakPolarHBondContact O-CB 3.46Å; R716-D720 PolarHBondContact O-N 3.49Å |
| 717 | E | 76.1 | Confident | 79.7 | Confident | 93 Ų | 93 | 99.9 Ų | 99.9 | 44% | 0.435 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.4 | -39.3 | 178.8 | -171.1 | 177.2 | 175 | 0 | 0 | 111.5 | R713 D720 L721 | R713-E717 WeakPolarHBondContact O-CB 3.45Å; R713-E717 PolarHBondContact O-N 3.48Å; E717-D720 PolarHBondContact O-N 3.33Å; E717-L721 HydrophobicContact CG-CD1 4.16Å; E717-L721 VanDerWaalsContact O-CB 3.26Å; E717-L721 WeakPolarHBondContact O-CB 3.37Å; E717-L721 WeakPolarHBondContact O-CD1 3.45Å; E717-L721 WeakPolarHBondContact O-CG 3.42Å; E717-L721 PolarHBondContact O-N 3.23Å |
| 718 | N | 76.6 | Confident | 79.8 | Confident | 108 Ų | 108 | 98.4 Ų | 98.4 | 58% | 0.578 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -67.7 | -40.2 | 174.8 | -164.3 | -0.8 | 0 | 0 | 0 | 111.9 | L714 Q715 R716 A722 | L714-N718 VanDerWaalsContact O-CB 3.23Å; L714-N718 WeakPolarHBondContact O-CB 3.43Å; L714-N718 PolarHBondContact O-N 3Å; Q715-N718 PolarHBondContact O-N 3.44Å; R716-N718 VanDerWaalsContact C-N 3.3Å; R716-N718 PolarHBondContact O-N 3.44Å; N718-A722 VanDerWaalsContact O-CB 3.24Å; N718-A722 WeakPolarHBondContact O-CB 3.33Å; N718-A722 PolarHBondContact O-N 3.45Å |
| 719 | D | 83 | Confident | 80 | Confident | 106 Ų | 106 | 99.6 Ų | 99.6 | 57% | 0.567 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.3 | -43.4 | 174.6 | -69.9 | -22.2 | 0 | 0 | 0 | 111.3 | Q715 R716 A722 C723 | Q715-D719 WeakPolarHBondContact O-CB 3.39Å; Q715-D719 VanDerWaalsContact O-CG 3.25Å; Q715-D719 PolarHBondContact O-N 2.98Å; R716-D719 PolarHBondContact O-N 3.27Å; D719-A722 PolarHBondContact O-N 2.95Å; D719-C723 WeakPolarHBondContact O-CB 3.26Å; D719-C723 PolarHBondContact O-N 2.89Å |
| 720 | D | 79.3 | Confident | 80.4 | Confident | 101 Ų | 101 | 97.9 Ų | 97.9 | 54% | 0.54 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.1 | -48.3 | 176.2 | -70.6 | -25.2 | 0 | 0 | 0 | 110.8 | R716 E717 A722 C723 E724 | R716-D720 WeakPolarHBondContact O-CB 3.46Å; R716-D720 PolarHBondContact O-N 3.49Å; E717-D720 PolarHBondContact O-N 3.33Å; D720-A722 VanDerWaalsContact C-N 3.32Å; D720-A722 PolarHBondContact O-N 3.05Å; D720-C723 CarbonylContact O-C 3.58Å; D720-C723 WeakPolarHBondContact O-CB 3.37Å; D720-C723 PolarHBondContact O-N 3.48Å; D720-E724 WeakPolarHBondContact O-CG 3.49Å; D720-E724 PolarHBondContact O-N 3.39Å |
| 721 | L | 77.4 | Confident | 81 | Confident | 93 Ų | 93 | 101.3 Ų | 101.3 | 49% | 0.487 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.4 | -38.7 | 175.7 | -75.6 | 169.1 | 0 | 0 | 0 | 111.9 | E717 E724 L725 | E717-L721 HydrophobicContact CG-CD1 4.16Å; E717-L721 VanDerWaalsContact O-CB 3.26Å; E717-L721 WeakPolarHBondContact O-CB 3.37Å; E717-L721 WeakPolarHBondContact O-CD1 3.45Å; E717-L721 WeakPolarHBondContact O-CG 3.42Å; E717-L721 PolarHBondContact O-N 3.23Å; L721-E724 PolarHBondContact O-N 2.82Å; L721-L725 VanDerWaalsContact O-CB 3.22Å; L721-L725 WeakPolarHBondContact O-CB 3.34Å; L721-L725 PolarHBondContact O-N 3.32Å |
| 722 | A | 80.4 | Confident | 81.4 | Confident | 46 Ų | 46 | 102.1 Ų | 102.1 | 38% | 0.38 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.8 | -41.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | N718 D719 D720 L725 V726 | N718-A722 VanDerWaalsContact O-CB 3.24Å; N718-A722 WeakPolarHBondContact O-CB 3.33Å; N718-A722 PolarHBondContact O-N 3.45Å; D719-A722 PolarHBondContact O-N 2.95Å; D720-A722 VanDerWaalsContact C-N 3.32Å; D720-A722 PolarHBondContact O-N 3.05Å; A722-L725 PolarHBondContact O-N 2.95Å; A722-V726 VanDerWaalsContact O-CG2 3.28Å; A722-V726 WeakPolarHBondContact O-CG2 3.46Å; A722-V726 PolarHBondContact O-N 3.48Å |
| 723 | C | 82.6 | Confident | 81.8 | Confident | 83 Ų | 83 | 104.1 Ų | 104.1 | 56% | 0.561 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -63.4 | -45.5 | 173.7 | -82.2 | 0 | 0 | 0 | 0 | 112.3 | D719 D720 V726 T727 | D719-C723 WeakPolarHBondContact O-CB 3.26Å; D719-C723 PolarHBondContact O-N 2.89Å; D720-C723 CarbonylContact O-C 3.58Å; D720-C723 WeakPolarHBondContact O-CB 3.37Å; D720-C723 PolarHBondContact O-N 3.48Å; C723-V726 PolarHBondContact O-N 2.93Å; C723-T727 WeakPolarHBondContact O-CB 3.3Å; C723-T727 PolarHBondContact O-N 3.08Å; C723-T727 PolarHBondContact O-OG1 3.33Å |
| 724 | E | 78 | Confident | 82.1 | Confident | 131 Ų | 131 | 103.1 Ų | 103.1 | 61% | 0.612 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61.2 | -44.3 | 174.8 | -76 | -173.7 | 177.8 | 0 | 0 | 111.6 | D720 L721 V726 T727 S728 | D720-E724 WeakPolarHBondContact O-CG 3.49Å; D720-E724 PolarHBondContact O-N 3.39Å; L721-E724 PolarHBondContact O-N 2.82Å; E724-V726 PolarHBondContact O-N 3.05Å; E724-T727 PolarHBondContact O-N 3.34Å; E724-S728 WeakPolarHBondContact O-CB 3.4Å; E724-S728 PolarHBondContact O-N 3.25Å |
| 725 | L | 80.8 | Confident | 82.7 | Confident | 126 Ų | 126 | 103 Ų | 103 | 66% | 0.66 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61.6 | -44.7 | 177.6 | -177.6 | 67.9 | 0 | 0 | 0 | 111.7 | L721 A722 K729 | L721-L725 VanDerWaalsContact O-CB 3.22Å; L721-L725 WeakPolarHBondContact O-CB 3.34Å; L721-L725 PolarHBondContact O-N 3.32Å; A722-L725 PolarHBondContact O-N 2.95Å; L725-K729 VanDerWaalsContact O-CB 3.24Å; L725-K729 WeakPolarHBondContact O-CB 3.23Å; L725-K729 PolarHBondContact O-N 2.97Å |
| 726 | V | 86.3 | Confident | 83.2 | Confident | 93 Ų | 93 | 101.7 Ų | 101.7 | 56% | 0.564 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.5 | -43.6 | 175.9 | 170.3 | 0 | 0 | 0 | 0 | 110.5 | A722 C723 E724 K729 V730 | A722-V726 VanDerWaalsContact O-CG2 3.28Å; A722-V726 WeakPolarHBondContact O-CG2 3.46Å; A722-V726 PolarHBondContact O-N 3.48Å; C723-V726 PolarHBondContact O-N 2.93Å; E724-V726 PolarHBondContact O-N 3.05Å; V726-K729 PolarHBondContact O-N 2.62Å; V726-V730 WeakPolarHBondContact O-CG2 3.33Å; V726-V730 PolarHBondContact O-N 3.37Å |
| 727 | T | 83.9 | Confident | 83.7 | Confident | 96 Ų | 96 | 96.6 Ų | 96.6 | 59% | 0.589 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.5 | -46.3 | -179.8 | -56.2 | 0 | 0 | 0 | 0 | 111.2 | C723 E724 K729 V730 H731 | C723-T727 WeakPolarHBondContact O-CB 3.3Å; C723-T727 PolarHBondContact O-N 3.08Å; C723-T727 PolarHBondContact O-OG1 3.33Å; E724-T727 PolarHBondContact O-N 3.34Å; T727-K729 VanDerWaalsContact C-N 3.34Å; T727-K729 PolarHBondContact O-N 3.03Å; T727-V730 PolarHBondContact O-N 3.04Å; T727-H731 PolarHBondContact O-N 3.22Å |
| 728 | S | 80 | Confident | 84.4 | Confident | 62 Ų | 62 | 94.2 Ų | 94.2 | 43% | 0.434 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.4 | -41.8 | 174.8 | 175.2 | 0 | 0 | 0 | 0 | 111.4 | E724 V730 H731 L732 | E724-S728 WeakPolarHBondContact O-CB 3.4Å; E724-S728 PolarHBondContact O-N 3.25Å; S728-V730 PolarHBondContact O-N 3.25Å; S728-H731 PolarHBondContact O-N 2.92Å; S728-L732 WeakPolarHBondContact O-CB 3.48Å; S728-L732 WeakPolarHBondContact O-CG 2.97Å; S728-L732 PolarHBondContact O-N 2.65Å |
| 729 | K | 85.3 | Confident | 84.9 | Confident | 155 Ų | 155 | 91.1 Ų | 91.1 | 67% | 0.674 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.1 | -39.4 | 176.7 | -173.5 | 177.7 | 179.5 | -179.5 | 0 | 112.6 | L725 V726 T727 R733 | L725-K729 VanDerWaalsContact O-CB 3.24Å; L725-K729 WeakPolarHBondContact O-CB 3.23Å; L725-K729 PolarHBondContact O-N 2.97Å; V726-K729 PolarHBondContact O-N 2.62Å; T727-K729 VanDerWaalsContact C-N 3.34Å; T727-K729 PolarHBondContact O-N 3.03Å; K729-R733 WeakPolarHBondContact O-CB 3.32Å; K729-R733 PolarHBondContact O-N 3.48Å |
| 730 | V | 89 | Confident | 85.4 | Confident | 79 Ų | 79 | 90.2 Ų | 90.2 | 48% | 0.479 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.6 | -43.8 | 174.3 | 171.6 | 0 | 0 | 0 | 0 | 110.6 | V726 T727 S728 R733 N734 | V726-V730 WeakPolarHBondContact O-CG2 3.33Å; V726-V730 PolarHBondContact O-N 3.37Å; T727-V730 PolarHBondContact O-N 3.04Å; S728-V730 PolarHBondContact O-N 3.25Å; V730-R733 PolarHBondContact O-N 3.46Å; V730-N734 VanDerWaalsContact O-CG 3.31Å; V730-N734 PolarHBondContact O-N 3.04Å |
| 731 | H | 85.1 | Confident | 85.9 | Confident | 112 Ų | 112 | 92 Ų | 92 | 52% | 0.519 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.2 | -49.2 | 177.4 | -164.4 | -70.6 | 0 | 0 | 0 | 112 | T727 S728 R733 N734 D735 | T727-H731 PolarHBondContact O-N 3.22Å; S728-H731 PolarHBondContact O-N 2.92Å; H731-R733 PolarHBondContact O-N 3.02Å; H731-N734 PolarHBondContact O-N 3.46Å; H731-N734 VanDerWaalsContact O-N 3.12Å; H731-D735 IonicContact CE1-OD1 3.06Å; H731-D735 PolarHBondContact CE1-OD1 3.5Å; H731-D735 IonicContact CE1-OD2 2.67Å; H731-D735 PolarHBondContact CE1-OD2 2.92Å; H731-D735 IonicContact ND1-OD1 2.61Å; H731-D735 IonicContact ND1-OD2 3.66Å; H731-D735 PolarHBondContact ND1-OD2 3.49Å; H731-D735 PolarHBondContact O-N 3.18Å |
| 732 | L | 84.8 | Confident | 86.5 | Confident | 109 Ų | 109 | 92.4 Ų | 92.4 | 57% | 0.571 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -59.9 | -34 | 176.5 | -74.8 | 170.6 | 0 | 0 | 0 | 112.3 | S728 L736 | S728-L732 WeakPolarHBondContact O-CB 3.48Å; S728-L732 WeakPolarHBondContact O-CG 2.97Å; S728-L732 PolarHBondContact O-N 2.65Å; L732-L736 VanDerWaalsContact O-CB 3.31Å; L732-L736 WeakPolarHBondContact O-CB 3.35Å; L732-L736 PolarHBondContact O-N 3.44Å |
| 733 | R | 90.4 | Very high | 87 | Confident | 129 Ų | 129 | 95.3 Ų | 95.3 | 49% | 0.487 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.2 | -44.1 | 174.9 | -176 | 67 | -160.6 | 179.3 | 10.5 | 111.5 | K729 V730 H731 D735 L736 D737 | K729-R733 WeakPolarHBondContact O-CB 3.32Å; K729-R733 PolarHBondContact O-N 3.48Å; V730-R733 PolarHBondContact O-N 3.46Å; H731-R733 PolarHBondContact O-N 3.02Å; R733-D735 VanDerWaalsContact C-N 3.34Å; R733-L736 WeakPolarHBondContact O-CB 3.21Å; R733-L736 PolarHBondContact O-N 3.4Å; R733-D737 IonicContact CZ-OD1 3.82Å; R733-D737 IonicContact NE-OD1 3.17Å; R733-D737 PolarHBondContact NE-OD1 2.89Å; R733-D737 IonicContact NE-OD2 2.83Å; R733-D737 IonicContact NH2-OD1 3.44Å; R733-D737 PolarHBondContact NH2-OD1 3.31Å; R733-D737 VanDerWaalsContact O-CG 3.22Å; R733-D737 PolarHBondContact O-N 2.79Å |
| 734 | N | 88.8 | Confident | 87.3 | Confident | 94 Ų | 94 | 97.9 Ų | 97.9 | 50% | 0.503 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63 | -41.2 | 176.2 | -65.9 | -18 | 0 | 0 | 0 | 111.8 | V730 H731 L736 D737 A738 | V730-N734 VanDerWaalsContact O-CG 3.31Å; V730-N734 PolarHBondContact O-N 3.04Å; H731-N734 PolarHBondContact O-N 3.46Å; H731-N734 VanDerWaalsContact O-N 3.12Å; N734-L736 VanDerWaalsContact C-N 3.32Å; N734-D737 PolarHBondContact O-N 2.83Å; N734-A738 WeakPolarHBondContact O-CB 3.28Å; N734-A738 PolarHBondContact O-N 3.27Å |
| 735 | D | 88.3 | Confident | 87.9 | Confident | 81 Ų | 81 | 94.3 Ų | 94.3 | 43% | 0.433 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.2 | -39 | 175.9 | -66.1 | -26.5 | 0 | 0 | 0 | 111.2 | H731 R733 A739 | H731-D735 IonicContact CE1-OD1 3.06Å; H731-D735 PolarHBondContact CE1-OD1 3.5Å; H731-D735 IonicContact CE1-OD2 2.67Å; H731-D735 PolarHBondContact CE1-OD2 2.92Å; H731-D735 IonicContact ND1-OD1 2.61Å; H731-D735 IonicContact ND1-OD2 3.66Å; H731-D735 PolarHBondContact ND1-OD2 3.49Å; H731-D735 PolarHBondContact O-N 3.18Å; R733-D735 VanDerWaalsContact C-N 3.34Å; D735-A739 WeakPolarHBondContact O-CB 3.36Å; D735-A739 PolarHBondContact O-N 3.07Å |
| 736 | L | 89.6 | Confident | 88.3 | Confident | 78 Ų | 78 | 93.6 Ų | 93.6 | 41% | 0.408 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.9 | -48.3 | 174.8 | -179 | 64.9 | 0 | 0 | 0 | 111.4 | L732 R733 N734 A738 A739 E740 | L732-L736 VanDerWaalsContact O-CB 3.31Å; L732-L736 WeakPolarHBondContact O-CB 3.35Å; L732-L736 PolarHBondContact O-N 3.44Å; R733-L736 WeakPolarHBondContact O-CB 3.21Å; R733-L736 PolarHBondContact O-N 3.4Å; N734-L736 VanDerWaalsContact C-N 3.32Å; L736-A738 VanDerWaalsContact C-N 3.3Å; L736-A738 PolarHBondContact O-N 3.49Å; L736-A739 PolarHBondContact O-N 3.29Å; L736-A739 VanDerWaalsContact O-N 3.15Å; L736-E740 HydrophobicContact CD1-CG 4.47Å; L736-E740 WeakPolarHBondContact O-CG 3.25Å; L736-E740 PolarHBondContact O-N 2.85Å |
| 737 | D | 91.6 | Very high | 88.6 | Confident | 53 Ų | 53 | 92.2 Ų | 92.2 | 28% | 0.283 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.8 | -40.6 | 178.6 | -64.6 | -27.3 | 0 | 0 | 0 | 110.3 | R733 N734 E740 E741 | R733-D737 IonicContact CZ-OD1 3.82Å; R733-D737 IonicContact NE-OD1 3.17Å; R733-D737 PolarHBondContact NE-OD1 2.89Å; R733-D737 IonicContact NE-OD2 2.83Å; R733-D737 IonicContact NH2-OD1 3.44Å; R733-D737 PolarHBondContact NH2-OD1 3.31Å; R733-D737 VanDerWaalsContact O-CG 3.22Å; R733-D737 PolarHBondContact O-N 2.79Å; N734-D737 PolarHBondContact O-N 2.83Å; D737-E740 PolarHBondContact O-N 3.17Å; D737-E741 PolarHBondContact O-N 3.42Å |
| 738 | A | 90.4 | Very high | 88.9 | Confident | 43 Ų | 43 | 90.3 Ų | 90.3 | 36% | 0.355 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -67.1 | -36 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | N734 L736 N742 | N734-A738 WeakPolarHBondContact O-CB 3.28Å; N734-A738 PolarHBondContact O-N 3.27Å; L736-A738 VanDerWaalsContact C-N 3.3Å; L736-A738 PolarHBondContact O-N 3.49Å; A738-N742 WeakPolarHBondContact O-CB 3.41Å; A738-N742 VanDerWaalsContact O-CG 3.31Å; A738-N742 PolarHBondContact O-N 3.48Å; A738-N742 VanDerWaalsContact O-N 3.13Å; A738-N742 PolarHBondContact O-ND2 3.33Å |
| 739 | A | 88.4 | Confident | 89.4 | Confident | 44 Ų | 44 | 92.2 Ų | 92.2 | 36% | 0.364 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -68 | -39.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | D735 L736 N742 I743 | D735-A739 WeakPolarHBondContact O-CB 3.36Å; D735-A739 PolarHBondContact O-N 3.07Å; L736-A739 PolarHBondContact O-N 3.29Å; L736-A739 VanDerWaalsContact O-N 3.15Å; A739-N742 PolarHBondContact O-N 2.79Å; A739-I743 WeakPolarHBondContact O-CG1 3.24Å; A739-I743 PolarHBondContact O-N 3.48Å |
| 740 | E | 92.1 | Very high | 89.5 | Confident | 86 Ų | 86 | 90.9 Ų | 90.9 | 40% | 0.402 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.4 | -47.7 | 174.7 | -73.1 | 175.8 | 175.3 | 0 | 0 | 111.2 | L736 D737 N742 I743 E744 | L736-E740 HydrophobicContact CD1-CG 4.47Å; L736-E740 WeakPolarHBondContact O-CG 3.25Å; L736-E740 PolarHBondContact O-N 2.85Å; D737-E740 PolarHBondContact O-N 3.17Å; E740-N742 VanDerWaalsContact C-N 3.32Å; E740-N742 PolarHBondContact O-N 2.86Å; E740-I743 PolarHBondContact O-N 3.12Å; E740-I743 VanDerWaalsContact O-N 3.16Å; E740-E744 PolarHBondContact O-N 3.29Å |
| 741 | E | 91.3 | Very high | 89.6 | Confident | 140 Ų | 140 | 92.1 Ų | 92.1 | 65% | 0.654 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -59.1 | -40.2 | 175 | -74.6 | -177.2 | 177.1 | 0 | 0 | 112.7 | D737 E744 S745 | D737-E741 PolarHBondContact O-N 3.42Å; E741-E744 PolarHBondContact O-N 3.18Å; E741-S745 WeakPolarHBondContact O-CB 3.4Å; E741-S745 PolarHBondContact O-N 3.03Å |
| 742 | N | 89.9 | Confident | 89.8 | Confident | 100 Ų | 100 | 95 Ų | 95 | 54% | 0.535 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.7 | -40.3 | 176.7 | -78 | -41 | 0 | 0 | 0 | 112 | A738 A739 E740 S745 L746 | A738-N742 WeakPolarHBondContact O-CB 3.41Å; A738-N742 VanDerWaalsContact O-CG 3.31Å; A738-N742 PolarHBondContact O-N 3.48Å; A738-N742 VanDerWaalsContact O-N 3.13Å; A738-N742 PolarHBondContact O-ND2 3.33Å; A739-N742 PolarHBondContact O-N 2.79Å; E740-N742 VanDerWaalsContact C-N 3.32Å; E740-N742 PolarHBondContact O-N 2.86Å; N742-S745 PolarHBondContact O-N 2.89Å; N742-L746 WeakPolarHBondContact O-CB 3.38Å; N742-L746 VanDerWaalsContact O-CG 3.31Å; N742-L746 WeakPolarHBondContact O-CG 3.4Å; N742-L746 PolarHBondContact O-N 3.35Å |
| 743 | I | 89.7 | Confident | 89.9 | Confident | 108 Ų | 108 | 93.5 Ų | 93.5 | 55% | 0.554 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -63.8 | -44.1 | 175.9 | -71.1 | 167.4 | 0 | 0 | 0 | 110.5 | A739 E740 L746 T747 | A739-I743 WeakPolarHBondContact O-CG1 3.24Å; A739-I743 PolarHBondContact O-N 3.48Å; E740-I743 PolarHBondContact O-N 3.12Å; E740-I743 VanDerWaalsContact O-N 3.16Å; I743-L746 PolarHBondContact O-N 3.29Å; I743-T747 VanDerWaalsContact O-CB 3.29Å; I743-T747 WeakPolarHBondContact O-CB 3.19Å; I743-T747 PolarHBondContact O-N 3.25Å; I743-T747 PolarHBondContact O-OG1 3.02Å |
| 744 | E | 90.7 | Very high | 90 | Very high | 136 Ų | 136 | 88.9 Ų | 88.9 | 64% | 0.636 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -62.8 | -42.6 | 177.1 | -71.8 | -174.4 | 175 | 0 | 0 | 112.1 | E740 E741 T747 T748 | E740-E744 PolarHBondContact O-N 3.29Å; E741-E744 PolarHBondContact O-N 3.18Å; E744-T747 PolarHBondContact O-N 3.39Å; E744-T748 WeakPolarHBondContact O-CB 3.22Å; E744-T748 PolarHBondContact O-N 3.41Å; E744-T748 PolarHBondContact O-OG1 3.21Å |
| 745 | S | 89.8 | Confident | 90 | Very high | 56 Ų | 56 | 92.3 Ų | 92.3 | 39% | 0.392 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.3 | -49.1 | 175.9 | -179 | 0 | 0 | 0 | 0 | 111.9 | E741 N742 T747 T748 Q749 | E741-S745 WeakPolarHBondContact O-CB 3.4Å; E741-S745 PolarHBondContact O-N 3.03Å; N742-S745 PolarHBondContact O-N 2.89Å; S745-T747 PolarHBondContact O-N 3.28Å; S745-T748 PolarHBondContact O-N 3.06Å; S745-Q749 WeakPolarHBondContact O-CG 3.46Å; S745-Q749 PolarHBondContact O-N 3.07Å |
| 746 | L | 88.4 | Confident | 90.1 | Very high | 111 Ų | 111 | 93.3 Ų | 93.3 | 58% | 0.581 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -64.2 | -39.8 | 178.1 | -74.4 | 170.6 | 0 | 0 | 0 | 111.8 | N742 I743 T748 Q749 L750 | N742-L746 WeakPolarHBondContact O-CB 3.38Å; N742-L746 VanDerWaalsContact O-CG 3.31Å; N742-L746 WeakPolarHBondContact O-CG 3.4Å; N742-L746 PolarHBondContact O-N 3.35Å; I743-L746 PolarHBondContact O-N 3.29Å; L746-T748 VanDerWaalsContact C-N 3.35Å; L746-T748 PolarHBondContact O-N 3.07Å; L746-Q749 PolarHBondContact O-N 3.34Å; L746-L750 WeakPolarHBondContact O-CB 3.27Å; L746-L750 PolarHBondContact O-N 2.86Å |
| 747 | T | 92.3 | Very high | 90 | Very high | 64 Ų | 64 | 93 Ų | 93 | 39% | 0.393 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.4 | -43.6 | 175.7 | -56.6 | 0 | 0 | 0 | 0 | 110.8 | I743 E744 S745 Q749 L750 E751 | I743-T747 VanDerWaalsContact O-CB 3.29Å; I743-T747 WeakPolarHBondContact O-CB 3.19Å; I743-T747 PolarHBondContact O-N 3.25Å; I743-T747 PolarHBondContact O-OG1 3.02Å; E744-T747 PolarHBondContact O-N 3.39Å; S745-T747 PolarHBondContact O-N 3.28Å; T747-Q749 VanDerWaalsContact C-N 3.33Å; T747-Q749 PolarHBondContact O-N 3.11Å; T747-L750 WeakPolarHBondContact O-CB 3.31Å; T747-L750 PolarHBondContact O-N 3.38Å; T747-E751 WeakPolarHBondContact O-CG 3.42Å; T747-E751 PolarHBondContact O-N 3.44Å |
| 748 | T | 91 | Very high | 89.9 | Confident | 57 Ų | 57 | 97.4 Ų | 97.4 | 35% | 0.35 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.2 | -39.2 | 176.1 | -56.4 | 0 | 0 | 0 | 0 | 111.9 | E744 S745 L746 R752 | E744-T748 WeakPolarHBondContact O-CB 3.22Å; E744-T748 PolarHBondContact O-N 3.41Å; E744-T748 PolarHBondContact O-OG1 3.21Å; S745-T748 PolarHBondContact O-N 3.06Å; L746-T748 VanDerWaalsContact C-N 3.35Å; L746-T748 PolarHBondContact O-N 3.07Å; T748-R752 VanDerWaalsContact O-CG 3.29Å; T748-R752 WeakPolarHBondContact O-CG 3.46Å; T748-R752 PolarHBondContact O-N 3.13Å; T748-R752 VanDerWaalsContact O-N 3.08Å |
| 749 | Q | 89.9 | Confident | 89.9 | Confident | 101 Ų | 101 | 100 Ų | 100 | 47% | 0.472 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.9 | -40.3 | 175.3 | -70.8 | -179.8 | 21.7 | 0 | 0 | 112.1 | S745 L746 T747 R752 T753 | S745-Q749 WeakPolarHBondContact O-CG 3.46Å; S745-Q749 PolarHBondContact O-N 3.07Å; L746-Q749 PolarHBondContact O-N 3.34Å; T747-Q749 VanDerWaalsContact C-N 3.33Å; T747-Q749 PolarHBondContact O-N 3.11Å; Q749-R752 PolarHBondContact O-N 3.21Å; Q749-T753 WeakPolarHBondContact O-CB 3.09Å; Q749-T753 WeakPolarHBondContact O-CG2 3.5Å; Q749-T753 PolarHBondContact O-N 3.42Å; Q749-T753 PolarHBondContact O-OG1 2.76Å |
| 750 | L | 88.9 | Confident | 89.9 | Confident | 128 Ų | 128 | 102.3 Ų | 102.3 | 67% | 0.67 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.2 | -42.6 | 175.4 | -165 | 98.6 | 0 | 0 | 0 | 111.3 | L746 T747 T753 G754 | L746-L750 WeakPolarHBondContact O-CB 3.27Å; L746-L750 PolarHBondContact O-N 2.86Å; T747-L750 WeakPolarHBondContact O-CB 3.31Å; T747-L750 PolarHBondContact O-N 3.38Å; L750-T753 WeakPolarHBondContact CA-OG1 3.17Å; L750-T753 PolarHBondContact O-OG1 3.17Å; L750-G754 PolarHBondContact O-N 3.34Å |
| 751 | E | 90 | Very high | 89.8 | Confident | 105 Ų | 105 | 104.6 Ų | 104.6 | 49% | 0.491 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.3 | -41.3 | 175.8 | -75 | -172.6 | -178.7 | 0 | 0 | 112.4 | T747 R755 | T747-E751 WeakPolarHBondContact O-CG 3.42Å; T747-E751 PolarHBondContact O-N 3.44Å; E751-R755 WeakPolarHBondContact O-CG 3.26Å; E751-R755 PolarHBondContact O-N 3.03Å |
| 752 | R | 90.6 | Very high | 89.7 | Confident | 172 Ų | 172 | 103.8 Ų | 103.8 | 65% | 0.649 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65.1 | -47.2 | 177.4 | -74.2 | 174.2 | -172.1 | 169.4 | 5.7 | 111.8 | T748 Q749 R755 L756 | T748-R752 VanDerWaalsContact O-CG 3.29Å; T748-R752 WeakPolarHBondContact O-CG 3.46Å; T748-R752 PolarHBondContact O-N 3.13Å; T748-R752 VanDerWaalsContact O-N 3.08Å; Q749-R752 PolarHBondContact O-N 3.21Å; R752-R755 PolarHBondContact O-N 2.83Å; R752-L756 PolarHBondContact O-N 2.84Å |
| 753 | T | 85.7 | Confident | 89.7 | Confident | 77 Ų | 77 | 104.2 Ų | 104.2 | 47% | 0.472 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.5 | -40.2 | 177.1 | 47.9 | 0 | 0 | 0 | 0 | 111.1 | Q749 L750 R755 L756 C757 | Q749-T753 WeakPolarHBondContact O-CB 3.09Å; Q749-T753 WeakPolarHBondContact O-CG2 3.5Å; Q749-T753 PolarHBondContact O-N 3.42Å; Q749-T753 PolarHBondContact O-OG1 2.76Å; L750-T753 WeakPolarHBondContact CA-OG1 3.17Å; L750-T753 PolarHBondContact O-OG1 3.17Å; T753-R755 PolarHBondContact O-N 2.83Å; T753-L756 PolarHBondContact O-N 2.78Å; T753-C757 WeakPolarHBondContact O-CB 3.5Å; T753-C757 PolarHBondContact O-N 3.2Å; T753-C757 PolarHBondContact O-SG 3.37Å; T753-C757 VanDerWaalsContact O-SG 3.39Å |
| 754 | G | 92 | Very high | 89.5 | Confident | 33 Ų | 33 | 103.6 Ų | 103.6 | 34% | 0.34 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.9 | -39.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | L750 K758 | L750-G754 PolarHBondContact O-N 3.34Å; G754-K758 WeakPolarHBondContact O-CG 3.24Å; G754-K758 PolarHBondContact O-N 3.45Å; G754-K758 VanDerWaalsContact O-N 3.14Å |
| 755 | R | 90.3 | Very high | 89.5 | Confident | 165 Ų | 165 | 106.3 Ų | 106.3 | 62% | 0.623 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.6 | -47.7 | 172.3 | -73.8 | 178.1 | -165.5 | -171.2 | 6.5 | 111.4 | E751 R752 T753 C757 K758 D759 | E751-R755 WeakPolarHBondContact O-CG 3.26Å; E751-R755 PolarHBondContact O-N 3.03Å; R752-R755 PolarHBondContact O-N 2.83Å; T753-R755 PolarHBondContact O-N 2.83Å; R755-C757 VanDerWaalsContact C-N 3.31Å; R755-C757 PolarHBondContact O-N 2.8Å; R755-K758 WeakPolarHBondContact O-CB 3.38Å; R755-K758 PolarHBondContact O-N 3.44Å; R755-D759 VanDerWaalsContact O-CG 3.28Å; R755-D759 PolarHBondContact O-N 3.45Å |
| 756 | L | 90.3 | Very high | 89.5 | Confident | 103 Ų | 103 | 107.5 Ų | 107.5 | 54% | 0.539 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -59.4 | -41.3 | 177.8 | -175.8 | 65.3 | 0 | 0 | 0 | 112.1 | R752 T753 K758 D759 L760 | R752-L756 PolarHBondContact O-N 2.84Å; T753-L756 PolarHBondContact O-N 2.78Å; L756-K758 VanDerWaalsContact C-N 3.34Å; L756-K758 PolarHBondContact O-N 2.91Å; L756-D759 PolarHBondContact O-N 3.25Å; L756-L760 HydrophobicContact CD1-CD1 4.39Å; L756-L760 HydrophobicContact CD1-CG 4.4Å; L756-L760 HydrophobicContact CG-CD1 4.04Å; L756-L760 HydrophobicContact CG-CG 4.47Å; L756-L760 WeakPolarHBondContact O-CB 3.45Å; L756-L760 VanDerWaalsContact O-CG 3.28Å; L756-L760 WeakPolarHBondContact O-CG 3.49Å; L756-L760 PolarHBondContact O-N 3.38Å |
| 757 | C | 87.1 | Confident | 89.4 | Confident | 71 Ų | 71 | 106.6 Ų | 106.6 | 48% | 0.48 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.2 | -39.5 | 174.4 | -75.8 | 0 | 0 | 0 | 0 | 112.3 | T753 R755 Q761 | T753-C757 WeakPolarHBondContact O-CB 3.5Å; T753-C757 PolarHBondContact O-N 3.2Å; T753-C757 PolarHBondContact O-SG 3.37Å; T753-C757 VanDerWaalsContact O-SG 3.39Å; R755-C757 VanDerWaalsContact C-N 3.31Å; R755-C757 PolarHBondContact O-N 2.8Å; C757-Q761 VanDerWaalsContact O-CB 3.32Å; C757-Q761 WeakPolarHBondContact O-CB 3.46Å; C757-Q761 WeakPolarHBondContact O-CG 3.48Å; C757-Q761 PolarHBondContact O-N 2.98Å |
| 758 | K | 90.2 | Very high | 89.2 | Confident | 145 Ų | 145 | 108.9 Ų | 108.9 | 63% | 0.63 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -66.7 | -44.7 | 175.5 | -76.3 | -178.7 | 179.5 | -178.8 | 0 | 112 | G754 R755 L756 L760 Q761 E762 | G754-K758 WeakPolarHBondContact O-CG 3.24Å; G754-K758 PolarHBondContact O-N 3.45Å; G754-K758 VanDerWaalsContact O-N 3.14Å; R755-K758 WeakPolarHBondContact O-CB 3.38Å; R755-K758 PolarHBondContact O-N 3.44Å; L756-K758 VanDerWaalsContact C-N 3.34Å; L756-K758 PolarHBondContact O-N 2.91Å; K758-L760 PolarHBondContact O-N 3.24Å; K758-Q761 WeakPolarHBondContact O-CB 3.18Å; K758-Q761 PolarHBondContact O-N 3.18Å; K758-E762 PolarHBondContact O-N 3.42Å |
| 759 | D | 90.3 | Very high | 89 | Confident | 97 Ų | 97 | 112.4 Ų | 112.4 | 52% | 0.519 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.8 | -45.2 | 178.5 | -62.6 | -17 | 0 | 0 | 0 | 110.4 | R755 L756 Q761 E762 E763 | R755-D759 VanDerWaalsContact O-CG 3.28Å; R755-D759 PolarHBondContact O-N 3.45Å; L756-D759 PolarHBondContact O-N 3.25Å; D759-Q761 PolarHBondContact O-N 3.39Å; D759-E762 PolarHBondContact O-N 3.15Å; D759-E763 WeakPolarHBondContact O-CB 3.31Å; D759-E763 PolarHBondContact O-N 3.33Å |
| 760 | L | 87.2 | Confident | 88.9 | Confident | 93 Ų | 93 | 113.2 Ų | 113.2 | 49% | 0.487 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65.7 | -34.9 | 175.4 | -72.7 | 172.7 | 0 | 0 | 0 | 112.8 | L756 K758 N764 | L756-L760 HydrophobicContact CD1-CD1 4.39Å; L756-L760 HydrophobicContact CD1-CG 4.4Å; L756-L760 HydrophobicContact CG-CD1 4.04Å; L756-L760 HydrophobicContact CG-CG 4.47Å; L756-L760 WeakPolarHBondContact O-CB 3.45Å; L756-L760 VanDerWaalsContact O-CG 3.28Å; L756-L760 WeakPolarHBondContact O-CG 3.49Å; L756-L760 PolarHBondContact O-N 3.38Å; K758-L760 PolarHBondContact O-N 3.24Å; L760-N764 WeakPolarHBondContact O-CB 3.19Å; L760-N764 PolarHBondContact O-N 2.81Å |
| 761 | Q | 89.4 | Confident | 88.7 | Confident | 135 Ų | 135 | 109.4 Ų | 109.4 | 63% | 0.631 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -66.9 | -40.2 | 174 | -81 | 175 | -12.5 | 0 | 0 | 111.9 | C757 K758 D759 R765 | C757-Q761 VanDerWaalsContact O-CB 3.32Å; C757-Q761 WeakPolarHBondContact O-CB 3.46Å; C757-Q761 WeakPolarHBondContact O-CG 3.48Å; C757-Q761 PolarHBondContact O-N 2.98Å; K758-Q761 WeakPolarHBondContact O-CB 3.18Å; K758-Q761 PolarHBondContact O-N 3.18Å; D759-Q761 PolarHBondContact O-N 3.39Å; Q761-R765 WeakPolarHBondContact O-CB 3.44Å; Q761-R765 PolarHBondContact O-N 3.14Å |
| 762 | E | 90.7 | Very high | 88.5 | Confident | 122 Ų | 122 | 110.8 Ų | 110.8 | 57% | 0.57 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -69.1 | -42.6 | 176.2 | -172.4 | 165.3 | -167.4 | 0 | 0 | 111.5 | K758 D759 R765 N766 | K758-E762 PolarHBondContact O-N 3.42Å; D759-E762 PolarHBondContact O-N 3.15Å; E762-R765 PolarHBondContact O-N 3.36Å; E762-N766 VanDerWaalsContact O-CG 3.25Å; E762-N766 PolarHBondContact O-N 3.23Å; E762-N766 PolarHBondContact O-ND2 2.74Å |
| 763 | E | 88.4 | Confident | 88.3 | Confident | 110 Ų | 110 | 108.3 Ų | 108.3 | 51% | 0.514 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.6 | -46.4 | 173.7 | -171.9 | 177 | -171.8 | 0 | 0 | 111.4 | D759 R765 N766 L767 | D759-E763 WeakPolarHBondContact O-CB 3.31Å; D759-E763 PolarHBondContact O-N 3.33Å; E763-R765 VanDerWaalsContact C-N 3.31Å; E763-R765 PolarHBondContact O-N 3.32Å; E763-N766 PolarHBondContact O-N 2.87Å; E763-L767 HydrophobicContact CG-CD1 4.12Å; E763-L767 HydrophobicContact CG-CG 4.47Å; E763-L767 WeakPolarHBondContact O-CB 3.47Å; E763-L767 WeakPolarHBondContact O-CG 3.21Å; E763-L767 PolarHBondContact O-N 3.03Å |
| 764 | N | 87.3 | Confident | 88.4 | Confident | 95 Ų | 95 | 109.2 Ų | 109.2 | 51% | 0.508 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.7 | -38.6 | 176.8 | -164.5 | -0.4 | 0 | 0 | 0 | 111.6 | L760 L767 L768 | L760-N764 WeakPolarHBondContact O-CB 3.19Å; L760-N764 PolarHBondContact O-N 2.81Å; N764-L767 PolarHBondContact O-N 3.05Å; N764-L768 WeakPolarHBondContact O-CB 3.46Å; N764-L768 VanDerWaalsContact O-CG 3.25Å; N764-L768 WeakPolarHBondContact O-CG 3.43Å; N764-L768 PolarHBondContact O-N 3.22Å |
| 765 | R | 89.3 | Confident | 88 | Confident | 193 Ų | 193 | 114.5 Ų | 114.5 | 73% | 0.728 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -64.2 | -41.4 | 174.1 | -176.3 | -179.9 | 169.6 | -178.4 | -4.1 | 112.1 | Q761 E762 E763 L768 H769 | Q761-R765 WeakPolarHBondContact O-CB 3.44Å; Q761-R765 PolarHBondContact O-N 3.14Å; E762-R765 PolarHBondContact O-N 3.36Å; E763-R765 VanDerWaalsContact C-N 3.31Å; E763-R765 PolarHBondContact O-N 3.32Å; R765-L768 PolarHBondContact O-N 3.5Å; R765-H769 PolarHBondContact O-N 2.91Å |
| 766 | N | 90 | Very high | 87.9 | Confident | 80 Ų | 80 | 111 Ų | 111 | 43% | 0.428 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66.1 | -45.6 | 176.7 | -69 | -20.9 | 0 | 0 | 0 | 111 | E762 E763 L768 H769 E770 | E762-N766 VanDerWaalsContact O-CG 3.25Å; E762-N766 PolarHBondContact O-N 3.23Å; E762-N766 PolarHBondContact O-ND2 2.74Å; E763-N766 PolarHBondContact O-N 2.87Å; N766-L768 VanDerWaalsContact C-N 3.32Å; N766-L768 PolarHBondContact O-N 2.99Å; N766-H769 WeakPolarHBondContact O-CB 3.24Å; N766-H769 PolarHBondContact O-N 3.13Å; N766-H769 VanDerWaalsContact O-N 3.1Å; N766-E770 WeakPolarHBondContact O-CG 3.39Å; N766-E770 PolarHBondContact O-N 3.33Å |
| 767 | L | 87.5 | Confident | 87.8 | Confident | 92 Ų | 92 | 108.9 Ų | 108.9 | 48% | 0.482 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.6 | -37.8 | 175.8 | -72.4 | 172.5 | 0 | 0 | 0 | 112.4 | E763 N764 S771 | E763-L767 HydrophobicContact CG-CD1 4.12Å; E763-L767 HydrophobicContact CG-CG 4.47Å; E763-L767 WeakPolarHBondContact O-CB 3.47Å; E763-L767 WeakPolarHBondContact O-CG 3.21Å; E763-L767 PolarHBondContact O-N 3.03Å; N764-L767 PolarHBondContact O-N 3.05Å; L767-S771 WeakPolarHBondContact O-CB 3.47Å; L767-S771 PolarHBondContact O-N 3.37Å |
| 768 | L | 87.4 | Confident | 87.6 | Confident | 113 Ų | 113 | 109 Ų | 109 | 59% | 0.592 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.9 | -42.1 | 173 | -76.5 | 170.1 | 0 | 0 | 0 | 111.5 | N764 R765 N766 S771 E772 | N764-L768 WeakPolarHBondContact O-CB 3.46Å; N764-L768 VanDerWaalsContact O-CG 3.25Å; N764-L768 WeakPolarHBondContact O-CG 3.43Å; N764-L768 PolarHBondContact O-N 3.22Å; R765-L768 PolarHBondContact O-N 3.5Å; N766-L768 VanDerWaalsContact C-N 3.32Å; N766-L768 PolarHBondContact O-N 2.99Å; L768-S771 PolarHBondContact O-N 3.2Å; L768-E772 WeakPolarHBondContact O-CB 3.4Å; L768-E772 PolarHBondContact O-N 2.87Å |
| 769 | H | 87.6 | Confident | 87.5 | Confident | 130 Ų | 130 | 109.8 Ų | 109.8 | 60% | 0.602 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -67.5 | -42.2 | 177.2 | -167.3 | 56.3 | 0 | 0 | 0 | 112.3 | R765 N766 E772 H773 | R765-H769 PolarHBondContact O-N 2.91Å; N766-H769 WeakPolarHBondContact O-CB 3.24Å; N766-H769 PolarHBondContact O-N 3.13Å; N766-H769 VanDerWaalsContact O-N 3.1Å; H769-E772 PolarHBondContact O-N 3.44Å; H769-H773 WeakPolarHBondContact O-CB 3.26Å; H769-H773 PolarHBondContact O-N 2.76Å |
| 770 | E | 87.6 | Confident | 87.3 | Confident | 118 Ų | 118 | 112.3 Ų | 112.3 | 55% | 0.551 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -62.7 | -43.2 | 173.3 | -72.7 | 179 | -177.8 | 0 | 0 | 111.2 | N766 E772 H773 V774 | N766-E770 WeakPolarHBondContact O-CG 3.39Å; N766-E770 PolarHBondContact O-N 3.33Å; E770-E772 VanDerWaalsContact C-N 3.32Å; E770-E772 PolarHBondContact O-N 3.03Å; E770-H773 PolarHBondContact O-N 2.91Å; E770-V774 WeakPolarHBondContact O-CB 3.47Å; E770-V774 VanDerWaalsContact O-CG2 3.27Å; E770-V774 WeakPolarHBondContact O-CG2 3.22Å; E770-V774 PolarHBondContact O-N 3.25Å |
| 771 | S | 83.4 | Confident | 87.2 | Confident | 49 Ų | 49 | 112 Ų | 112 | 34% | 0.343 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -59.3 | -42.8 | 175.1 | -172.1 | 0 | 0 | 0 | 0 | 111.6 | L767 L768 K775 | L767-S771 WeakPolarHBondContact O-CB 3.47Å; L767-S771 PolarHBondContact O-N 3.37Å; L768-S771 PolarHBondContact O-N 3.2Å; S771-K775 WeakPolarHBondContact O-CB 3.46Å; S771-K775 WeakPolarHBondContact O-CG 3.36Å; S771-K775 PolarHBondContact O-N 3.41Å |
| 772 | E | 86.1 | Confident | 86.9 | Confident | 134 Ų | 134 | 110.2 Ų | 110.2 | 63% | 0.626 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -66.9 | -41.4 | 176.6 | -165.3 | 171.6 | -158.6 | 0 | 0 | 111.8 | L768 H769 E770 K775 E776 | L768-E772 WeakPolarHBondContact O-CB 3.4Å; L768-E772 PolarHBondContact O-N 2.87Å; H769-E772 PolarHBondContact O-N 3.44Å; E770-E772 VanDerWaalsContact C-N 3.32Å; E770-E772 PolarHBondContact O-N 3.03Å; E772-K775 PolarHBondContact O-N 3.47Å; E772-E776 WeakPolarHBondContact O-CB 3.35Å; E772-E776 PolarHBondContact O-N 2.91Å |
| 773 | H | 87.2 | Confident | 86.8 | Confident | 119 Ų | 119 | 109.2 Ų | 109.2 | 55% | 0.551 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.7 | -41.8 | 176.3 | -170 | 76.2 | 0 | 0 | 0 | 112.8 | H769 E770 E776 T777 | H769-H773 WeakPolarHBondContact O-CB 3.26Å; H769-H773 PolarHBondContact O-N 2.76Å; E770-H773 PolarHBondContact O-N 2.91Å; H773-E776 PolarHBondContact O-N 3.5Å; H773-T777 WeakPolarHBondContact O-CB 3.37Å; H773-T777 PolarHBondContact O-N 3.44Å; H773-T777 PolarHBondContact O-OG1 3.41Å |
| 774 | V | 86.1 | Confident | 86.8 | Confident | 97 Ų | 97 | 109.1 Ų | 109.1 | 59% | 0.588 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65.3 | -43 | 175.3 | 171.2 | 0 | 0 | 0 | 0 | 110.3 | E770 E776 T777 C778 | E770-V774 WeakPolarHBondContact O-CB 3.47Å; E770-V774 VanDerWaalsContact O-CG2 3.27Å; E770-V774 WeakPolarHBondContact O-CG2 3.22Å; E770-V774 PolarHBondContact O-N 3.25Å; V774-E776 VanDerWaalsContact C-N 3.35Å; V774-E776 PolarHBondContact O-N 3.2Å; V774-T777 PolarHBondContact O-N 2.96Å; V774-C778 WeakPolarHBondContact O-CB 3.49Å; V774-C778 PolarHBondContact O-N 3.02Å |
| 775 | K | 85.3 | Confident | 86.6 | Confident | 144 Ų | 144 | 108.9 Ų | 108.9 | 63% | 0.626 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -58.9 | -44.7 | 174.5 | -77.6 | 169.6 | -176.4 | 171.3 | 0 | 111.7 | S771 E772 R779 | S771-K775 WeakPolarHBondContact O-CB 3.46Å; S771-K775 WeakPolarHBondContact O-CG 3.36Å; S771-K775 PolarHBondContact O-N 3.41Å; E772-K775 PolarHBondContact O-N 3.47Å; K775-R779 VanDerWaalsContact O-CB 3.31Å; K775-R779 WeakPolarHBondContact O-CB 3.36Å; K775-R779 PolarHBondContact O-N 3.27Å |
| 776 | E | 86.7 | Confident | 86.4 | Confident | 90 Ų | 90 | 104.4 Ų | 104.4 | 42% | 0.421 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -69.2 | -39.5 | 179.4 | -175.7 | 55.5 | -153.6 | 0 | 0 | 112.3 | E772 H773 V774 R779 R780 | E772-E776 WeakPolarHBondContact O-CB 3.35Å; E772-E776 PolarHBondContact O-N 2.91Å; H773-E776 PolarHBondContact O-N 3.5Å; V774-E776 VanDerWaalsContact C-N 3.35Å; V774-E776 PolarHBondContact O-N 3.2Å; E776-R779 PolarHBondContact O-N 2.78Å; E776-R780 WeakPolarHBondContact O-CB 3.48Å; E776-R780 PolarHBondContact O-N 3Å |
| 777 | T | 88.8 | Confident | 86.3 | Confident | 60 Ų | 60 | 102.6 Ų | 102.6 | 37% | 0.368 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.9 | -45.4 | 175.7 | -57.5 | 0 | 0 | 0 | 0 | 111.1 | H773 V774 R779 R780 E781 | H773-T777 WeakPolarHBondContact O-CB 3.37Å; H773-T777 PolarHBondContact O-N 3.44Å; H773-T777 PolarHBondContact O-OG1 3.41Å; V774-T777 PolarHBondContact O-N 2.96Å; T777-R779 VanDerWaalsContact C-N 3.33Å; T777-R779 PolarHBondContact O-N 3.34Å; T777-R780 PolarHBondContact O-N 2.95Å; T777-E781 PolarHBondContact O-N 3.18Å |
| 778 | C | 83.6 | Confident | 86.3 | Confident | 72 Ų | 72 | 99.8 Ų | 99.8 | 49% | 0.486 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59.6 | -43.9 | 174.6 | -175.1 | 0 | 0 | 0 | 0 | 111.1 | V774 R780 E781 L782 | V774-C778 WeakPolarHBondContact O-CB 3.49Å; V774-C778 PolarHBondContact O-N 3.02Å; C778-R780 PolarHBondContact O-N 3.44Å; C778-E781 PolarHBondContact O-N 3.23Å; C778-L782 WeakPolarHBondContact O-CB 3.48Å; C778-L782 PolarHBondContact O-N 3.25Å |
| 779 | R | 86.6 | Confident | 86.2 | Confident | 162 Ų | 162 | 98.8 Ų | 98.8 | 61% | 0.611 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -60.9 | -43.1 | 175.9 | -172 | 179.7 | -174.2 | 162.5 | 3.2 | 112.2 | K775 E776 T777 L783 | K775-R779 VanDerWaalsContact O-CB 3.31Å; K775-R779 WeakPolarHBondContact O-CB 3.36Å; K775-R779 PolarHBondContact O-N 3.27Å; E776-R779 PolarHBondContact O-N 2.78Å; T777-R779 VanDerWaalsContact C-N 3.33Å; T777-R779 PolarHBondContact O-N 3.34Å; R779-L783 HydrophobicContact CG-CD1 4.44Å; R779-L783 WeakPolarHBondContact O-CG 3.35Å; R779-L783 PolarHBondContact O-N 2.96Å |
| 780 | R | 87 | Confident | 86.2 | Confident | 151 Ų | 151 | 99.5 Ų | 99.5 | 57% | 0.57 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -65.8 | -43.9 | 178.4 | -169 | -176.6 | -57.4 | 154.2 | 6.9 | 112 | E776 T777 C778 L783 K784 | E776-R780 WeakPolarHBondContact O-CB 3.48Å; E776-R780 PolarHBondContact O-N 3Å; T777-R780 PolarHBondContact O-N 2.95Å; C778-R780 PolarHBondContact O-N 3.44Å; R780-L783 PolarHBondContact O-N 3.36Å; R780-K784 WeakPolarHBondContact O-CB 3.4Å; R780-K784 PolarHBondContact O-N 3.46Å |
| 781 | E | 85.1 | Confident | 86.2 | Confident | 85 Ų | 85 | 100.3 Ų | 100.3 | 40% | 0.397 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -69.2 | -36.6 | 178.9 | -159.2 | 61.2 | -148.7 | 0 | 0 | 111.2 | T777 C778 K784 Q785 | T777-E781 PolarHBondContact O-N 3.18Å; C778-E781 PolarHBondContact O-N 3.23Å; E781-K784 PolarHBondContact O-N 2.97Å; E781-K784 IonicContact OE1-NZ 3.54Å; E781-Q785 WeakPolarHBondContact O-CB 3.48Å; E781-Q785 WeakPolarHBondContact O-CG 3.14Å; E781-Q785 PolarHBondContact O-N 3.04Å |
| 782 | L | 84 | Confident | 86.4 | Confident | 99 Ų | 99 | 101.8 Ų | 101.8 | 52% | 0.518 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -58.5 | -49.3 | 170.5 | -101.6 | 158 | 0 | 0 | 0 | 112 | C778 K784 Q785 E786 | C778-L782 WeakPolarHBondContact O-CB 3.48Å; C778-L782 PolarHBondContact O-N 3.25Å; L782-K784 VanDerWaalsContact C-N 3.3Å; L782-K784 PolarHBondContact O-N 2.92Å; L782-Q785 PolarHBondContact O-N 2.67Å; L782-E786 WeakPolarHBondContact O-CB 3.2Å; L782-E786 WeakPolarHBondContact O-CG 3.37Å; L782-E786 PolarHBondContact O-N 3.14Å |
| 783 | L | 87 | Confident | 86.4 | Confident | 100 Ų | 100 | 104.2 Ų | 104.2 | 52% | 0.524 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.1 | -37 | 178 | -74.7 | 171.3 | 0 | 0 | 0 | 112.4 | R779 R780 A787 | R779-L783 HydrophobicContact CG-CD1 4.44Å; R779-L783 WeakPolarHBondContact O-CG 3.35Å; R779-L783 PolarHBondContact O-N 2.96Å; R780-L783 PolarHBondContact O-N 3.36Å; L783-A787 WeakPolarHBondContact O-CB 3.37Å; L783-A787 PolarHBondContact O-N 3.34Å |
| 784 | K | 88.5 | Confident | 86.5 | Confident | 108 Ų | 108 | 103.4 Ų | 103.4 | 47% | 0.47 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.7 | -46.4 | 175.4 | -174.4 | -176.8 | 165.3 | -154.6 | 0 | 111.1 | R780 E781 L782 E786 A787 D788 | R780-K784 WeakPolarHBondContact O-CB 3.4Å; R780-K784 PolarHBondContact O-N 3.46Å; E781-K784 PolarHBondContact O-N 2.97Å; E781-K784 IonicContact OE1-NZ 3.54Å; L782-K784 VanDerWaalsContact C-N 3.3Å; L782-K784 PolarHBondContact O-N 2.92Å; K784-E786 VanDerWaalsContact C-N 3.34Å; K784-E786 PolarHBondContact O-N 3.28Å; K784-A787 WeakPolarHBondContact O-CB 3.27Å; K784-A787 PolarHBondContact O-N 3.45Å; K784-A787 VanDerWaalsContact O-N 3.13Å; K784-D788 WeakPolarHBondContact O-CB 3.24Å; K784-D788 VanDerWaalsContact O-CG 3.28Å; K784-D788 PolarHBondContact O-N 3.38Å |
| 785 | Q | 84.6 | Confident | 86.5 | Confident | 90 Ų | 90 | 103.7 Ų | 103.7 | 42% | 0.421 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.7 | -38.7 | 174.5 | -77 | -65.8 | -21.7 | 0 | 0 | 112.3 | E781 L782 A787 D788 N789 | E781-Q785 WeakPolarHBondContact O-CB 3.48Å; E781-Q785 WeakPolarHBondContact O-CG 3.14Å; E781-Q785 PolarHBondContact O-N 3.04Å; L782-Q785 PolarHBondContact O-N 2.67Å; Q785-A787 VanDerWaalsContact C-N 3.34Å; Q785-A787 PolarHBondContact O-N 2.87Å; Q785-D788 PolarHBondContact O-N 3.16Å; Q785-N789 WeakPolarHBondContact O-CB 3.49Å; Q785-N789 PolarHBondContact O-N 3.2Å; Q785-N789 PolarHBondContact O-ND2 2.89Å |
| 786 | E | 85.1 | Confident | 86.4 | Confident | 100 Ų | 100 | 100.9 Ų | 100.9 | 47% | 0.467 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.6 | -38.2 | 172.9 | -76.6 | -179.5 | 177.2 | 0 | 0 | 112.4 | L782 K784 K790 | L782-E786 WeakPolarHBondContact O-CB 3.2Å; L782-E786 WeakPolarHBondContact O-CG 3.37Å; L782-E786 PolarHBondContact O-N 3.14Å; K784-E786 VanDerWaalsContact C-N 3.34Å; K784-E786 PolarHBondContact O-N 3.28Å; E786-K790 WeakPolarHBondContact O-CB 3.26Å; E786-K790 WeakPolarHBondContact O-CG 3.44Å; E786-K790 PolarHBondContact O-N 3.41Å |
| 787 | A | 86.7 | Confident | 86.3 | Confident | 41 Ų | 41 | 101 Ų | 101 | 34% | 0.339 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -71 | -39.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L783 K784 Q785 K790 R791 | L783-A787 WeakPolarHBondContact O-CB 3.37Å; L783-A787 PolarHBondContact O-N 3.34Å; K784-A787 WeakPolarHBondContact O-CB 3.27Å; K784-A787 PolarHBondContact O-N 3.45Å; K784-A787 VanDerWaalsContact O-N 3.13Å; Q785-A787 VanDerWaalsContact C-N 3.34Å; Q785-A787 PolarHBondContact O-N 2.87Å; A787-K790 PolarHBondContact O-N 3.32Å; A787-R791 PolarHBondContact O-N 3.4Å |
| 788 | D | 88.1 | Confident | 86.2 | Confident | 34 Ų | 34 | 102.3 Ų | 102.3 | 18% | 0.182 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -64.5 | -48.9 | 174.5 | -68 | -16 | 0 | 0 | 0 | 110 | K784 Q785 K790 R791 D792 | K784-D788 WeakPolarHBondContact O-CB 3.24Å; K784-D788 VanDerWaalsContact O-CG 3.28Å; K784-D788 PolarHBondContact O-N 3.38Å; Q785-D788 PolarHBondContact O-N 3.16Å; D788-K790 VanDerWaalsContact C-N 3.27Å; D788-K790 PolarHBondContact O-N 2.9Å; D788-R791 CarbonylContact O-C 3.53Å; D788-R791 WeakPolarHBondContact O-CA 3.31Å; D788-R791 WeakPolarHBondContact O-CB 3.48Å; D788-R791 PolarHBondContact O-N 3.11Å; D788-R791 IonicContact OD1-CZ 3.05Å; D788-R791 IonicContact OD1-NH1 2.66Å; D788-R791 PolarHBondContact OD1-NH1 3.01Å; D788-R791 IonicContact OD1-NH2 2.68Å; D788-R791 PolarHBondContact OD1-NH2 2.81Å; D788-D792 PolarHBondContact O-N 3.39Å |
| 789 | N | 86 | Confident | 86.4 | Confident | 92 Ų | 92 | 106.2 Ų | 106.2 | 49% | 0.492 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -57.6 | -35.7 | 174.7 | -78.6 | -38.6 | 0 | 0 | 0 | 113.2 | Q785 R793 | Q785-N789 WeakPolarHBondContact O-CB 3.49Å; Q785-N789 PolarHBondContact O-N 3.2Å; Q785-N789 PolarHBondContact O-ND2 2.89Å; N789-R793 WeakPolarHBondContact O-CB 3.41Å; N789-R793 WeakPolarHBondContact O-CG 3.28Å; N789-R793 PolarHBondContact O-N 3.18Å |
| 790 | K | 86.6 | Confident | 86.3 | Confident | 144 Ų | 144 | 104.9 Ų | 104.9 | 63% | 0.626 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -67.6 | -42.6 | 172.9 | -80.5 | 176.1 | -176.2 | 173.2 | 0 | 111.7 | E786 A787 D788 R793 I794 | E786-K790 WeakPolarHBondContact O-CB 3.26Å; E786-K790 WeakPolarHBondContact O-CG 3.44Å; E786-K790 PolarHBondContact O-N 3.41Å; A787-K790 PolarHBondContact O-N 3.32Å; D788-K790 VanDerWaalsContact C-N 3.27Å; D788-K790 PolarHBondContact O-N 2.9Å; K790-R793 PolarHBondContact O-N 3.18Å; K790-I794 WeakPolarHBondContact O-CG1 3.3Å; K790-I794 PolarHBondContact O-N 3.36Å; K790-I794 VanDerWaalsContact O-N 3.1Å |
| 791 | R | 88.6 | Confident | 86.2 | Confident | 135 Ų | 135 | 103.3 Ų | 103.3 | 51% | 0.509 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.7 | -45.4 | 175.4 | -79.9 | -170.4 | -106.8 | 102.9 | 4.9 | 111.3 | A787 D788 R793 I794 I795 | A787-R791 PolarHBondContact O-N 3.4Å; D788-R791 CarbonylContact O-C 3.53Å; D788-R791 WeakPolarHBondContact O-CA 3.31Å; D788-R791 WeakPolarHBondContact O-CB 3.48Å; D788-R791 PolarHBondContact O-N 3.11Å; D788-R791 IonicContact OD1-CZ 3.05Å; D788-R791 IonicContact OD1-NH1 2.66Å; D788-R791 PolarHBondContact OD1-NH1 3.01Å; D788-R791 IonicContact OD1-NH2 2.68Å; D788-R791 PolarHBondContact OD1-NH2 2.81Å; R791-R793 VanDerWaalsContact C-N 3.33Å; R791-R793 PolarHBondContact O-N 3.22Å; R791-I794 PolarHBondContact O-N 3.01Å; R791-I794 VanDerWaalsContact O-N 3.14Å; R791-I795 WeakPolarHBondContact O-CG1 3.08Å; R791-I795 PolarHBondContact O-N 3.11Å |
| 792 | D | 86.9 | Confident | 86.2 | Confident | 80 Ų | 80 | 104.1 Ų | 104.1 | 43% | 0.428 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.2 | -38.7 | 178.5 | -68.2 | -13.4 | 0 | 0 | 0 | 111.3 | D788 I794 I795 I796 | D788-D792 PolarHBondContact O-N 3.39Å; D792-I794 PolarHBondContact O-N 3.17Å; D792-I795 PolarHBondContact O-N 3.4Å; D792-I796 WeakPolarHBondContact O-CB 3.42Å; D792-I796 WeakPolarHBondContact O-CD1 3.33Å; D792-I796 WeakPolarHBondContact O-CG1 3.2Å; D792-I796 PolarHBondContact O-N 3.36Å |
| 793 | R | 86.3 | Confident | 86.1 | Confident | 185 Ų | 185 | 101.7 Ų | 101.7 | 70% | 0.698 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -58.9 | -45.2 | 171.1 | -88.8 | -174.1 | 177.2 | -171.1 | 0.4 | 112.7 | N789 K790 R791 I796 D797 | N789-R793 WeakPolarHBondContact O-CB 3.41Å; N789-R793 WeakPolarHBondContact O-CG 3.28Å; N789-R793 PolarHBondContact O-N 3.18Å; K790-R793 PolarHBondContact O-N 3.18Å; R791-R793 VanDerWaalsContact C-N 3.33Å; R791-R793 PolarHBondContact O-N 3.22Å; R793-I796 PolarHBondContact O-N 3.31Å; R793-D797 WeakPolarHBondContact O-CB 3.28Å; R793-D797 VanDerWaalsContact O-CG 3.32Å; R793-D797 PolarHBondContact O-N 3.07Å |
| 794 | I | 88.5 | Confident | 85.8 | Confident | 102 Ų | 102 | 100 Ų | 100 | 52% | 0.523 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.1 | -46.2 | 177.4 | -66.4 | 163.9 | 0 | 0 | 0 | 110.1 | K790 R791 D792 I796 D797 D798 | K790-I794 WeakPolarHBondContact O-CG1 3.3Å; K790-I794 PolarHBondContact O-N 3.36Å; K790-I794 VanDerWaalsContact O-N 3.1Å; R791-I794 PolarHBondContact O-N 3.01Å; R791-I794 VanDerWaalsContact O-N 3.14Å; D792-I794 PolarHBondContact O-N 3.17Å; I794-I796 VanDerWaalsContact C-N 3.34Å; I794-I796 PolarHBondContact O-N 3.04Å; I794-D797 PolarHBondContact O-N 3.14Å; I794-D798 WeakPolarHBondContact O-CB 3.48Å; I794-D798 PolarHBondContact O-N 2.7Å |
| 795 | I | 87.5 | Confident | 85.5 | Confident | 103 Ų | 103 | 99.4 Ų | 99.4 | 53% | 0.528 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62 | -42 | 178.1 | -66.2 | 167 | 0 | 0 | 0 | 111 | R791 D792 D798 Y799 | R791-I795 WeakPolarHBondContact O-CG1 3.08Å; R791-I795 PolarHBondContact O-N 3.11Å; D792-I795 PolarHBondContact O-N 3.4Å; I795-D798 PolarHBondContact O-N 3.09Å; I795-Y799 VanDerWaalsContact O-CB 3.27Å; I795-Y799 WeakPolarHBondContact O-CB 3.29Å; I795-Y799 PolarHBondContact O-N 2.88Å |
| 796 | I | 83 | Confident | 85.4 | Confident | 86 Ų | 86 | 100.5 Ų | 100.5 | 44% | 0.441 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.1 | -41.5 | 177.1 | -72.3 | 165.2 | 0 | 0 | 0 | 110.7 | D792 R793 I794 Y799 K800 | D792-I796 WeakPolarHBondContact O-CB 3.42Å; D792-I796 WeakPolarHBondContact O-CD1 3.33Å; D792-I796 WeakPolarHBondContact O-CG1 3.2Å; D792-I796 PolarHBondContact O-N 3.36Å; R793-I796 PolarHBondContact O-N 3.31Å; I794-I796 VanDerWaalsContact C-N 3.34Å; I794-I796 PolarHBondContact O-N 3.04Å; I796-Y799 PolarHBondContact O-N 3.22Å; I796-K800 HydrophobicContact CG2-CD 4.12Å; I796-K800 HydrophobicContact CG2-CG 4.48Å; I796-K800 WeakPolarHBondContact O-CB 3.46Å; I796-K800 VanDerWaalsContact O-CG 3.26Å; I796-K800 WeakPolarHBondContact O-CG 3.5Å; I796-K800 PolarHBondContact O-N 3.39Å |
| 797 | D | 84.2 | Confident | 85.2 | Confident | 92 Ų | 92 | 99 Ų | 99 | 49% | 0.492 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.4 | -42.2 | 177.9 | -72.6 | -18.3 | 0 | 0 | 0 | 111.2 | R793 I794 Y799 K800 Q801 | R793-D797 WeakPolarHBondContact O-CB 3.28Å; R793-D797 VanDerWaalsContact O-CG 3.32Å; R793-D797 PolarHBondContact O-N 3.07Å; I794-D797 PolarHBondContact O-N 3.14Å; D797-Y799 PolarHBondContact O-N 3.46Å; D797-K800 PolarHBondContact O-N 3.17Å; D797-Q801 WeakPolarHBondContact O-CB 3.23Å; D797-Q801 PolarHBondContact O-N 2.95Å |
| 798 | D | 87.5 | Confident | 84.9 | Confident | 88 Ų | 88 | 100.3 Ų | 100.3 | 47% | 0.471 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.9 | -42.8 | 173 | -74.4 | -13.1 | 0 | 0 | 0 | 111.5 | I794 I795 Q801 M802 | I794-D798 WeakPolarHBondContact O-CB 3.48Å; I794-D798 PolarHBondContact O-N 2.7Å; I795-D798 PolarHBondContact O-N 3.09Å; D798-Q801 PolarHBondContact O-N 3.02Å; D798-M802 WeakPolarHBondContact O-CG 3.28Å; D798-M802 PolarHBondContact O-N 3.24Å |
| 799 | Y | 86.9 | Confident | 84.6 | Confident | 154 Ų | 154 | 104.7 Ų | 104.7 | 60% | 0.604 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.5 | -42.6 | 177.4 | -163.2 | -93.2 | 0 | 0 | 0 | 111.3 | I795 I796 D797 Q801 M802 C803 | I795-Y799 VanDerWaalsContact O-CB 3.27Å; I795-Y799 WeakPolarHBondContact O-CB 3.29Å; I795-Y799 PolarHBondContact O-N 2.88Å; I796-Y799 PolarHBondContact O-N 3.22Å; D797-Y799 PolarHBondContact O-N 3.46Å; Y799-Q801 VanDerWaalsContact C-N 3.3Å; Y799-Q801 PolarHBondContact O-N 3.1Å; Y799-M802 HydrophobicContact CD2-CE 4.33Å; Y799-M802 PolarHBondContact O-N 3.46Å; Y799-C803 VanDerWaalsContact CE1-SG 3.5Å; Y799-C803 WeakPolarHBondContact O-CB 3.42Å; Y799-C803 PolarHBondContact O-N 2.97Å; Y799-C803 PolarHBondContact O-SG 3.01Å; Y799-C803 VanDerWaalsContact O-SG 3.34Å |
| 800 | K | 84.3 | Confident | 84.3 | Confident | 133 Ų | 133 | 105.1 Ų | 105.1 | 58% | 0.578 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.9 | -40.1 | 173 | -78.1 | 173.4 | -178.5 | 172.2 | 0 | 111.7 | I796 D797 C803 A804 | I796-K800 HydrophobicContact CG2-CD 4.12Å; I796-K800 HydrophobicContact CG2-CG 4.48Å; I796-K800 WeakPolarHBondContact O-CB 3.46Å; I796-K800 VanDerWaalsContact O-CG 3.26Å; I796-K800 WeakPolarHBondContact O-CG 3.5Å; I796-K800 PolarHBondContact O-N 3.39Å; D797-K800 PolarHBondContact O-N 3.17Å; K800-C803 PolarHBondContact O-N 3.09Å; K800-A804 WeakPolarHBondContact O-CB 3.13Å; K800-A804 PolarHBondContact O-N 3.16Å |
| 801 | Q | 85.7 | Confident | 83.9 | Confident | 119 Ų | 119 | 102.8 Ų | 102.8 | 56% | 0.556 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -67.5 | -44.5 | 177.4 | -174.4 | 156.7 | -8.2 | 0 | 0 | 111.5 | D797 D798 Y799 C803 A804 E805 | D797-Q801 WeakPolarHBondContact O-CB 3.23Å; D797-Q801 PolarHBondContact O-N 2.95Å; D798-Q801 PolarHBondContact O-N 3.02Å; Y799-Q801 VanDerWaalsContact C-N 3.3Å; Y799-Q801 PolarHBondContact O-N 3.1Å; Q801-C803 PolarHBondContact O-N 3.31Å; Q801-A804 PolarHBondContact O-N 3.21Å; Q801-E805 WeakPolarHBondContact O-CG 3.48Å; Q801-E805 PolarHBondContact O-N 3.24Å |
| 802 | M | 84.9 | Confident | 83.5 | Confident | 101 Ų | 101 | 100.1 Ų | 100.1 | 50% | 0.498 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.3 | -43.6 | 172.8 | -76.6 | -171.5 | -73.1 | 0 | 0 | 112.1 | D798 Y799 E805 L806 | D798-M802 WeakPolarHBondContact O-CG 3.28Å; D798-M802 PolarHBondContact O-N 3.24Å; Y799-M802 HydrophobicContact CD2-CE 4.33Å; Y799-M802 PolarHBondContact O-N 3.46Å; M802-E805 PolarHBondContact O-N 3.13Å; M802-L806 VanDerWaalsContact O-CB 3.31Å; M802-L806 WeakPolarHBondContact O-CB 3.33Å; M802-L806 WeakPolarHBondContact O-CD1 3.41Å; M802-L806 WeakPolarHBondContact O-CG 3.49Å; M802-L806 PolarHBondContact O-N 3.24Å |
| 803 | C | 81.1 | Confident | 83.1 | Confident | 49 Ų | 49 | 101.4 Ų | 101.4 | 33% | 0.331 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.8 | -42.1 | 174.5 | -74.6 | 0 | 0 | 0 | 0 | 111.7 | Y799 K800 Q801 L806 S807 | Y799-C803 VanDerWaalsContact CE1-SG 3.5Å; Y799-C803 WeakPolarHBondContact O-CB 3.42Å; Y799-C803 PolarHBondContact O-N 2.97Å; Y799-C803 PolarHBondContact O-SG 3.01Å; Y799-C803 VanDerWaalsContact O-SG 3.34Å; K800-C803 PolarHBondContact O-N 3.09Å; Q801-C803 PolarHBondContact O-N 3.31Å; C803-L806 PolarHBondContact O-N 3.32Å; C803-S807 VanDerWaalsContact O-CB 3.31Å; C803-S807 WeakPolarHBondContact O-CB 3.47Å; C803-S807 PolarHBondContact O-N 2.67Å; C803-S807 PolarHBondContact O-OG 3.38Å |
| 804 | A | 80.9 | Confident | 82.7 | Confident | 63 Ų | 63 | 97.3 Ų | 97.3 | 52% | 0.521 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.2 | -40.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | K800 Q801 S808 | K800-A804 WeakPolarHBondContact O-CB 3.13Å; K800-A804 PolarHBondContact O-N 3.16Å; Q801-A804 PolarHBondContact O-N 3.21Å; A804-S808 VanDerWaalsContact O-CB 3.26Å; A804-S808 WeakPolarHBondContact O-CB 3.37Å; A804-S808 PolarHBondContact O-N 2.83Å |
| 805 | E | 82.5 | Confident | 82.2 | Confident | 97 Ų | 97 | 98.9 Ų | 98.9 | 45% | 0.453 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.7 | -42.4 | 174.6 | -74.7 | -176.9 | -169.4 | 0 | 0 | 112.5 | Q801 M802 S808 K809 | Q801-E805 WeakPolarHBondContact O-CG 3.48Å; Q801-E805 PolarHBondContact O-N 3.24Å; M802-E805 PolarHBondContact O-N 3.13Å; E805-S808 PolarHBondContact O-N 2.88Å; E805-K809 WeakPolarHBondContact O-CB 3.47Å; E805-K809 WeakPolarHBondContact O-CG 3.43Å; E805-K809 PolarHBondContact O-N 3.18Å |
| 806 | L | 82.1 | Confident | 81.9 | Confident | 113 Ų | 113 | 101 Ų | 101 | 59% | 0.592 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.3 | -45 | 176.3 | -82.2 | 158 | 0 | 0 | 0 | 111 | M802 C803 K809 L810 | M802-L806 VanDerWaalsContact O-CB 3.31Å; M802-L806 WeakPolarHBondContact O-CB 3.33Å; M802-L806 WeakPolarHBondContact O-CD1 3.41Å; M802-L806 WeakPolarHBondContact O-CG 3.49Å; M802-L806 PolarHBondContact O-N 3.24Å; C803-L806 PolarHBondContact O-N 3.32Å; L806-K809 PolarHBondContact O-N 3.11Å; L806-L810 WeakPolarHBondContact O-CB 3.35Å; L806-L810 PolarHBondContact O-N 2.51Å |
| 807 | S | 80.2 | Confident | 81.6 | Confident | 67 Ų | 67 | 104.2 Ų | 104.2 | 47% | 0.469 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.5 | -41.9 | 174.7 | -66.1 | 0 | 0 | 0 | 0 | 111.7 | C803 K809 L810 D811 | C803-S807 VanDerWaalsContact O-CB 3.31Å; C803-S807 WeakPolarHBondContact O-CB 3.47Å; C803-S807 PolarHBondContact O-N 2.67Å; C803-S807 PolarHBondContact O-OG 3.38Å; S807-K809 PolarHBondContact O-N 3.11Å; S807-L810 WeakPolarHBondContact O-CB 3.13Å; S807-L810 PolarHBondContact O-N 3.26Å; S807-D811 WeakPolarHBondContact O-CB 3.44Å; S807-D811 PolarHBondContact O-N 3.37Å |
| 808 | S | 80.4 | Confident | 81.2 | Confident | 69 Ų | 69 | 104.9 Ų | 104.9 | 48% | 0.483 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.2 | -41.5 | 174.8 | -179.5 | 0 | 0 | 0 | 0 | 112.1 | A804 E805 D811 V812 | A804-S808 VanDerWaalsContact O-CB 3.26Å; A804-S808 WeakPolarHBondContact O-CB 3.37Å; A804-S808 PolarHBondContact O-N 2.83Å; E805-S808 PolarHBondContact O-N 2.88Å; S808-D811 PolarHBondContact O-N 3.2Å; S808-V812 VanDerWaalsContact O-CG2 3.26Å; S808-V812 WeakPolarHBondContact O-CG2 3.44Å; S808-V812 PolarHBondContact O-N 3.25Å |
| 809 | K | 82.5 | Confident | 80.8 | Confident | 127 Ų | 127 | 105.9 Ų | 105.9 | 55% | 0.552 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.9 | -39.6 | 172.7 | -76.1 | 174.3 | -176.6 | 167.8 | 0 | 111.9 | E805 L806 S807 V812 L813 | E805-K809 WeakPolarHBondContact O-CB 3.47Å; E805-K809 WeakPolarHBondContact O-CG 3.43Å; E805-K809 PolarHBondContact O-N 3.18Å; L806-K809 PolarHBondContact O-N 3.11Å; S807-K809 PolarHBondContact O-N 3.11Å; K809-V812 PolarHBondContact O-N 3.5Å; K809-L813 WeakPolarHBondContact O-CB 3.46Å; K809-L813 VanDerWaalsContact O-CG 3.29Å; K809-L813 WeakPolarHBondContact O-CG 3.23Å; K809-L813 PolarHBondContact O-N 3.28Å |
| 810 | L | 79.4 | Confident | 80.3 | Confident | 100 Ų | 100 | 103.5 Ų | 103.5 | 52% | 0.524 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.3 | -45.9 | 176.6 | -161.7 | 89.6 | 0 | 0 | 0 | 110.3 | L806 S807 V812 L813 Q814 | L806-L810 WeakPolarHBondContact O-CB 3.35Å; L806-L810 PolarHBondContact O-N 2.51Å; S807-L810 WeakPolarHBondContact O-CB 3.13Å; S807-L810 PolarHBondContact O-N 3.26Å; L810-V812 PolarHBondContact O-N 2.93Å; L810-L813 CarbonylContact O-C 3.56Å; L810-L813 PolarHBondContact O-N 3.16Å; L810-Q814 WeakPolarHBondContact O-CB 3.27Å; L810-Q814 PolarHBondContact O-N 2.95Å |
| 811 | D | 77.7 | Confident | 79.9 | Confident | 96 Ų | 96 | 104 Ų | 104 | 51% | 0.513 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.6 | -41.9 | 176.4 | -80 | -9.6 | 0 | 0 | 0 | 111.7 | S807 S808 K815 | S807-D811 WeakPolarHBondContact O-CB 3.44Å; S807-D811 PolarHBondContact O-N 3.37Å; S808-D811 PolarHBondContact O-N 3.2Å; D811-K815 WeakPolarHBondContact O-CB 2.95Å; D811-K815 WeakPolarHBondContact O-CG 3.4Å; D811-K815 PolarHBondContact O-N 3Å |
| 812 | V | 81.4 | Confident | 79.3 | Confident | 79 Ų | 79 | 105 Ų | 105 | 48% | 0.479 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.3 | -40.5 | 176.2 | 170.8 | 0 | 0 | 0 | 0 | 111.1 | S808 K809 L810 R816 | S808-V812 VanDerWaalsContact O-CG2 3.26Å; S808-V812 WeakPolarHBondContact O-CG2 3.44Å; S808-V812 PolarHBondContact O-N 3.25Å; K809-V812 PolarHBondContact O-N 3.5Å; L810-V812 PolarHBondContact O-N 2.93Å; V812-R816 WeakPolarHBondContact O-CB 3.5Å; V812-R816 PolarHBondContact O-N 2.69Å |
| 813 | L | 78.8 | Confident | 78.9 | Confident | 106 Ų | 106 | 107.8 Ų | 107.8 | 56% | 0.555 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -70.5 | -40.1 | 176.9 | -75.7 | 170.1 | 0 | 0 | 0 | 111.9 | K809 L810 R816 Y817 | K809-L813 WeakPolarHBondContact O-CB 3.46Å; K809-L813 VanDerWaalsContact O-CG 3.29Å; K809-L813 WeakPolarHBondContact O-CG 3.23Å; K809-L813 PolarHBondContact O-N 3.28Å; L810-L813 CarbonylContact O-C 3.56Å; L810-L813 PolarHBondContact O-N 3.16Å; L813-R816 PolarHBondContact O-N 3.1Å; L813-Y817 VanDerWaalsContact O-CB 3.26Å; L813-Y817 WeakPolarHBondContact O-CB 3.46Å; L813-Y817 PolarHBondContact O-N 2.95Å |
| 814 | Q | 76.8 | Confident | 78.3 | Confident | 99 Ų | 99 | 112.9 Ų | 112.9 | 46% | 0.463 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.6 | -46.2 | 174 | -91.5 | -177.8 | -39.6 | 0 | 0 | 110.6 | L810 R816 Y817 E818 | L810-Q814 WeakPolarHBondContact O-CB 3.27Å; L810-Q814 PolarHBondContact O-N 2.95Å; Q814-R816 VanDerWaalsContact C-N 3.34Å; Q814-R816 PolarHBondContact O-N 3.49Å; Q814-Y817 CarbonylContact O-C 3.57Å; Q814-Y817 PolarHBondContact O-N 3.4Å; Q814-E818 WeakPolarHBondContact O-CB 3.26Å; Q814-E818 WeakPolarHBondContact O-CG 3.15Å; Q814-E818 PolarHBondContact O-N 2.74Å |
| 815 | K | 78.8 | Confident | 77.6 | Confident | 136 Ų | 136 | 112.6 Ų | 112.6 | 59% | 0.591 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -59.4 | -44 | 173.3 | -85 | -176.9 | 176.3 | 175.2 | 0 | 112.2 | D811 Y817 E818 E819 | D811-K815 WeakPolarHBondContact O-CB 2.95Å; D811-K815 WeakPolarHBondContact O-CG 3.4Å; D811-K815 PolarHBondContact O-N 3Å; K815-Y817 VanDerWaalsContact C-N 3.34Å; K815-Y817 PolarHBondContact O-N 2.94Å; K815-E818 PolarHBondContact O-N 2.97Å; K815-E819 WeakPolarHBondContact O-CB 3.46Å; K815-E819 VanDerWaalsContact O-CG 3.25Å; K815-E819 WeakPolarHBondContact O-CG 3.34Å; K815-E819 PolarHBondContact O-N 3.26Å |
| 816 | R | 80.3 | Confident | 77 | Confident | 147 Ų | 147 | 112 Ų | 112 | 56% | 0.555 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.6 | -40.7 | 177.6 | -165.7 | -177.2 | -69.5 | -176.8 | -1.6 | 111.3 | V812 L813 Q814 E819 E820 | V812-R816 WeakPolarHBondContact O-CB 3.5Å; V812-R816 PolarHBondContact O-N 2.69Å; L813-R816 PolarHBondContact O-N 3.1Å; Q814-R816 VanDerWaalsContact C-N 3.34Å; Q814-R816 PolarHBondContact O-N 3.49Å; R816-E819 PolarHBondContact O-N 2.93Å; R816-E820 WeakPolarHBondContact O-CB 3.34Å; R816-E820 WeakPolarHBondContact O-CG 3.47Å; R816-E820 PolarHBondContact O-N 3.38Å |
| 817 | Y | 77.6 | Confident | 76.4 | Confident | 153 Ų | 153 | 112.1 Ų | 112.1 | 60% | 0.6 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -66.4 | -40.4 | 175.6 | -179.9 | -98.3 | 0 | 0 | 0 | 111.9 | L813 Q814 K815 E820 R821 | L813-Y817 VanDerWaalsContact O-CB 3.26Å; L813-Y817 WeakPolarHBondContact O-CB 3.46Å; L813-Y817 PolarHBondContact O-N 2.95Å; Q814-Y817 CarbonylContact O-C 3.57Å; Q814-Y817 PolarHBondContact O-N 3.4Å; K815-Y817 VanDerWaalsContact C-N 3.34Å; K815-Y817 PolarHBondContact O-N 2.94Å; Y817-E820 PolarHBondContact O-N 2.94Å; Y817-R821 WeakPolarHBondContact O-CA 3.47Å; Y817-R821 WeakPolarHBondContact O-CB 3.4Å; Y817-R821 PolarHBondContact O-N 2.82Å |
| 818 | E | 76.1 | Confident | 75.5 | Confident | 106 Ų | 106 | 110.1 Ų | 110.1 | 50% | 0.495 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68 | -39.6 | 175.2 | -76.8 | 174.8 | 175.1 | 0 | 0 | 111.8 | Q814 K815 K822 | Q814-E818 WeakPolarHBondContact O-CB 3.26Å; Q814-E818 WeakPolarHBondContact O-CG 3.15Å; Q814-E818 PolarHBondContact O-N 2.74Å; K815-E818 PolarHBondContact O-N 2.97Å; E818-K822 WeakPolarHBondContact O-CB 3.32Å; E818-K822 PolarHBondContact O-N 3.37Å |
| 819 | E | 78.1 | Confident | 74.6 | Confident | 109 Ų | 109 | 112 Ų | 112 | 51% | 0.509 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.5 | -44.6 | 173 | -76.4 | 174.9 | -170.4 | 0 | 0 | 111.5 | K815 R816 K822 R823 | K815-E819 WeakPolarHBondContact O-CB 3.46Å; K815-E819 VanDerWaalsContact O-CG 3.25Å; K815-E819 WeakPolarHBondContact O-CG 3.34Å; K815-E819 PolarHBondContact O-N 3.26Å; R816-E819 PolarHBondContact O-N 2.93Å; E819-K822 PolarHBondContact O-N 3.44Å; E819-R823 WeakPolarHBondContact O-CB 3.48Å; E819-R823 VanDerWaalsContact O-CG 3.27Å; E819-R823 WeakPolarHBondContact O-CG 3.49Å; E819-R823 PolarHBondContact O-N 3.46Å |
| 820 | E | 77.5 | Confident | 73.7 | Confident | 104 Ų | 104 | 114 Ų | 114 | 49% | 0.486 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.4 | -43.3 | 175.3 | -80.6 | -175.9 | 169.9 | 0 | 0 | 111.7 | R816 Y817 K822 R823 F824 | R816-E820 WeakPolarHBondContact O-CB 3.34Å; R816-E820 WeakPolarHBondContact O-CG 3.47Å; R816-E820 PolarHBondContact O-N 3.38Å; Y817-E820 PolarHBondContact O-N 2.94Å; E820-K822 VanDerWaalsContact C-N 3.33Å; E820-K822 PolarHBondContact O-N 2.79Å; E820-R823 PolarHBondContact O-N 2.85Å; E820-F824 WeakPolarHBondContact O-CB 3.43Å; E820-F824 WeakPolarHBondContact O-CD2 3.37Å; E820-F824 PolarHBondContact O-N 3.4Å |
| 821 | R | 74.8 | Confident | 72.9 | Confident | 145 Ų | 145 | 111.7 Ų | 111.7 | 55% | 0.547 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.7 | -43.7 | 174.5 | 177.3 | 179.8 | 145.9 | -148.6 | -4.7 | 110.4 | Y817 F824 M825 | Y817-R821 WeakPolarHBondContact O-CA 3.47Å; Y817-R821 WeakPolarHBondContact O-CB 3.4Å; Y817-R821 PolarHBondContact O-N 2.82Å; R821-F824 PolarHBondContact O-N 3.35Å; R821-M825 HydrophobicContact CG-CG 4.34Å; R821-M825 WeakPolarHBondContact O-CB 3.4Å; R821-M825 WeakPolarHBondContact O-CG 3.24Å; R821-M825 PolarHBondContact O-N 2.94Å |
| 822 | K | 73.1 | Confident | 72.1 | Confident | 139 Ų | 139 | 116.1 Ų | 116.1 | 60% | 0.604 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.4 | -43.6 | 177.6 | -164.7 | 175.2 | -175.1 | 179.8 | 0 | 111.3 | E818 E819 E820 F824 M825 D826 | E818-K822 WeakPolarHBondContact O-CB 3.32Å; E818-K822 PolarHBondContact O-N 3.37Å; E819-K822 PolarHBondContact O-N 3.44Å; E820-K822 VanDerWaalsContact C-N 3.33Å; E820-K822 PolarHBondContact O-N 2.79Å; K822-F824 VanDerWaalsContact C-N 3.31Å; K822-F824 PolarHBondContact O-N 3.45Å; K822-M825 PolarHBondContact O-N 2.85Å; K822-D826 WeakPolarHBondContact O-CB 3.34Å; K822-D826 PolarHBondContact O-N 3.19Å |
| 823 | R | 77.4 | Confident | 71.2 | Confident | 159 Ų | 159 | 119 Ų | 119 | 60% | 0.6 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -59.1 | -41.8 | 171.8 | -72.7 | 175 | -170.5 | 179.6 | 7.1 | 112.3 | E819 E820 I827 | E819-R823 WeakPolarHBondContact O-CB 3.48Å; E819-R823 VanDerWaalsContact O-CG 3.27Å; E819-R823 WeakPolarHBondContact O-CG 3.49Å; E819-R823 PolarHBondContact O-N 3.46Å; E820-R823 PolarHBondContact O-N 2.85Å; R823-I827 WeakPolarHBondContact O-CB 3.47Å; R823-I827 WeakPolarHBondContact O-CD1 3.45Å; R823-I827 WeakPolarHBondContact O-CG1 3.42Å; R823-I827 PolarHBondContact O-N 3.24Å |
| 824 | F | 68.8 | Low | 70.5 | Confident | 156 Ų | 156 | 116.5 Ų | 116.5 | 68% | 0.684 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -65.6 | -39.9 | 175.7 | -101.5 | -77.1 | 0 | 0 | 0 | 112 | E820 R821 K822 A828 | E820-F824 WeakPolarHBondContact O-CB 3.43Å; E820-F824 WeakPolarHBondContact O-CD2 3.37Å; E820-F824 PolarHBondContact O-N 3.4Å; R821-F824 PolarHBondContact O-N 3.35Å; K822-F824 VanDerWaalsContact C-N 3.31Å; K822-F824 PolarHBondContact O-N 3.45Å; F824-A828 WeakPolarHBondContact O-CB 3.38Å; F824-A828 PolarHBondContact O-N 3.28Å |
| 825 | M | 65.3 | Low | 69.8 | Low | 57 Ų | 57 | 113.8 Ų | 113.8 | 28% | 0.281 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.1 | -44.8 | 176.2 | -69.8 | -70 | -66.8 | 0 | 0 | 111.4 | R821 K822 I827 A828 E829 I838 Q842 | R821-M825 HydrophobicContact CG-CG 4.34Å; R821-M825 WeakPolarHBondContact O-CB 3.4Å; R821-M825 WeakPolarHBondContact O-CG 3.24Å; R821-M825 PolarHBondContact O-N 2.94Å; K822-M825 PolarHBondContact O-N 2.85Å; M825-I827 VanDerWaalsContact C-N 3.32Å; M825-I827 PolarHBondContact O-N 2.87Å; M825-A828 CarbonylContact O-C 3.59Å; M825-A828 PolarHBondContact O-N 3.15Å; M825-E829 WeakPolarHBondContact O-CG 3.22Å; M825-E829 PolarHBondContact O-N 3.4Å; M825-I838 HydrophobicContact CE-CG2 3.54Å; M825-I838 HydrophobicContact SD-CG2 4.39Å; M825-Q842 VanDerWaalsContact CE-NE2 3.25Å |
| 826 | D | 69.4 | Low | 68.9 | Low | 84 Ų | 84 | 110.7 Ų | 110.7 | 45% | 0.449 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60 | -41.9 | 177.1 | -64.2 | -19 | 0 | 0 | 0 | 110.9 | K822 A828 | K822-D826 WeakPolarHBondContact O-CB 3.34Å; K822-D826 PolarHBondContact O-N 3.19Å; D826-A828 VanDerWaalsContact C-N 3.34Å |
| 827 | I | 69.4 | Low | 68 | Low | 116 Ų | 116 | 112.7 Ų | 112.7 | 60% | 0.595 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -67.3 | -36.2 | 174.7 | -67.7 | 165.2 | 0 | 0 | 0 | 111.3 | R823 M825 | R823-I827 WeakPolarHBondContact O-CB 3.47Å; R823-I827 WeakPolarHBondContact O-CD1 3.45Å; R823-I827 WeakPolarHBondContact O-CG1 3.42Å; R823-I827 PolarHBondContact O-N 3.24Å; M825-I827 VanDerWaalsContact C-N 3.32Å; M825-I827 PolarHBondContact O-N 2.87Å |
| 828 | A | 61.9 | Low | 67.1 | Low | 25 Ų | 25 | 106.6 Ų | 106.6 | 21% | 0.207 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -79.9 | -24.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | F824 M825 D826 C831 C834 I838 | F824-A828 WeakPolarHBondContact O-CB 3.38Å; F824-A828 PolarHBondContact O-N 3.28Å; M825-A828 CarbonylContact O-C 3.59Å; M825-A828 PolarHBondContact O-N 3.15Å; D826-A828 VanDerWaalsContact C-N 3.34Å; A828-C831 PolarHBondContact O-N 2.96Å; A828-C834 WeakPolarHBondContact O-CB 3.18Å; A828-I838 HydrophobicContact CB-CD1 3.35Å; A828-I838 WeakPolarHBondContact O-CD1 3.41Å |
| 829 | E | 61.2 | Low | 66.3 | Low | 108 Ų | 108 | 107 Ų | 107 | 51% | 0.505 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -69.8 | -29.4 | 171.2 | -79 | 179.8 | -174.5 | 0 | 0 | 113 | M825 C831 | M825-E829 WeakPolarHBondContact O-CG 3.22Å; M825-E829 PolarHBondContact O-N 3.4Å; E829-C831 VanDerWaalsContact C-N 3.27Å; E829-C831 PolarHBondContact O-N 2.81Å |
| 830 | E | 64.1 | Low | 65.3 | Low | 171 Ų | 171 | 108.5 Ų | 108.5 | 80% | 0.799 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -9.5 | 174.9 | -71.2 | -177.2 | 167.6 | 0 | 0 | 113.9 | ||
| 831 | C | 61.7 | Low | 64.3 | Low | 50 Ų | 50 | 107.7 Ų | 107.7 | 34% | 0.338 | 52% | 0.523 | S | S | . | . | trans | -90.1 | 115.3 | -177.7 | 179.7 | 0 | 0 | 0 | 0 | 111.3 | A828 E829 N833 C834 S835 | A828-C831 PolarHBondContact O-N 2.96Å; E829-C831 VanDerWaalsContact C-N 3.27Å; E829-C831 PolarHBondContact O-N 2.81Å; C831-N833 PolarHBondContact O-N 3.44Å; C831-C834 HydrophobicContact CB-CB 3.82Å; C831-C834 PolarHBondContact O-N 3.23Å; C831-C834 PolarHBondContact SG-SG 2.87Å; C831-S835 PolarHBondContact O-N 2.8Å | ||
| 832 | E | 61.6 | Low | 63.3 | Low | 190 Ų | 190 | 105.5 Ų | 105.5 | 89% | 0.888 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -20.8 | 179.1 | -67.1 | -174.8 | 161.6 | 0 | 0 | 114.1 | ||
| 833 | N | 61.9 | Low | 62.3 | Low | 140 Ų | 140 | 106.4 Ų | 106.4 | 75% | 0.749 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.3 | -20.2 | 175.4 | -92.2 | -18.5 | 0 | 0 | 0 | 114.3 | C831 | C831-N833 PolarHBondContact O-N 3.44Š|
| 834 | C | 64.2 | Low | 60.9 | Low | 52 Ų | 52 | 104.2 Ų | 104.2 | 35% | 0.351 | 53% | 0.529 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | -32.5 | -176 | -60.5 | 0 | 0 | 0 | 0 | 112.7 | A828 C831 R837 I838 | A828-C834 WeakPolarHBondContact O-CB 3.18Å; C831-C834 HydrophobicContact CB-CB 3.82Å; C831-C834 PolarHBondContact O-N 3.23Å; C831-C834 PolarHBondContact SG-SG 2.87Å; C834-R837 PolarHBondContact O-N 3.33Å; C834-I838 HydrophobicContact CB-CD1 4.21Å; C834-I838 WeakPolarHBondContact O-CG1 3.35Å; C834-I838 PolarHBondContact O-N 3.36Å |
| 835 | S | 62.7 | Low | 59.7 | Low | 43 Ų | 43 | 101.6 Ų | 101.6 | 30% | 0.301 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -47.6 | -50.9 | 178.2 | 170.2 | 0 | 0 | 0 | 0 | 113.8 | C831 R837 I838 E839 | C831-S835 PolarHBondContact O-N 2.8Å; S835-R837 VanDerWaalsContact C-N 3.28Å; S835-R837 PolarHBondContact O-N 3.15Å; S835-I838 PolarHBondContact O-N 2.99Å; S835-E839 PolarHBondContact O-N 3.13Å |
| 836 | P | 60.6 | Low | 58.2 | Low | 71 Ų | 71 | 107 Ų | 107 | 46% | 0.461 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -69.9 | -22.6 | -179.8 | 24.2 | -31.4 | 0 | 0 | 0 | 113.8 | E840 | P836-E840 PolarHBondContact O-N 3.38Å |
| 837 | R | 61 | Low | 56.5 | Low | 189 Ų | 189 | 111.3 Ų | 111.3 | 71% | 0.713 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -80.5 | -26.1 | 174.7 | -74.6 | -162.7 | 170.2 | -175.1 | -1.5 | 113.1 | C834 S835 C841 | C834-R837 PolarHBondContact O-N 3.33Å; S835-R837 VanDerWaalsContact C-N 3.28Å; S835-R837 PolarHBondContact O-N 3.15Å; R837-C841 PolarHBondContact O-N 3.49Å |
| 838 | I | 59.7 | Low | 54.7 | Low | 25 Ų | 25 | 114.5 Ų | 114.5 | 13% | 0.128 | 58% | 0.582 | C | S | . | * | H | α-helix | trans | -75.5 | -38.1 | 176.5 | -64.9 | 163.5 | 0 | 0 | 0 | 110 | M825 A828 C834 S835 C841 Q842 | M825-I838 HydrophobicContact CE-CG2 3.54Å; M825-I838 HydrophobicContact SD-CG2 4.39Å; A828-I838 HydrophobicContact CB-CD1 3.35Å; A828-I838 WeakPolarHBondContact O-CD1 3.41Å; C834-I838 HydrophobicContact CB-CD1 4.21Å; C834-I838 WeakPolarHBondContact O-CG1 3.35Å; C834-I838 PolarHBondContact O-N 3.36Å; S835-I838 PolarHBondContact O-N 2.99Å; I838-C841 PolarHBondContact O-N 2.93Å; I838-Q842 HydrophobicContact CG2-CG 4.44Å; I838-Q842 WeakPolarHBondContact O-CG 3.45Å; I838-Q842 PolarHBondContact O-N 3.09Å |
| 839 | E | 57.3 | Low | 53.3 | Low | 115 Ų | 115 | 122.8 Ų | 122.8 | 54% | 0.537 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -65.2 | -37.6 | 173.3 | -75.1 | -175.2 | 156 | 0 | 0 | 112.5 | S835 C841 Q842 Q843 | S835-E839 PolarHBondContact O-N 3.13Å; E839-C841 VanDerWaalsContact C-N 3.33Å; E839-C841 PolarHBondContact O-N 3.31Å; E839-Q842 PolarHBondContact O-N 3.34Å; E839-Q843 WeakPolarHBondContact O-CG 3.34Å; E839-Q843 PolarHBondContact O-N 2.97Å; E839-Q843 VanDerWaalsContact O-N 3.16Å |
| 840 | E | 57.8 | Low | 51.8 | Low | 139 Ų | 139 | 122.5 Ų | 122.5 | 65% | 0.65 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -65 | -33 | 172.3 | -92.9 | -176.7 | 158.1 | 0 | 0 | 113 | P836 T844 | P836-E840 PolarHBondContact O-N 3.38Å; E840-T844 PolarHBondContact O-OG1 2.98Å |
| 841 | C | 56.1 | Low | 50.3 | Low | 87 Ų | 87 | 121 Ų | 121 | 59% | 0.588 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -78.1 | -28.1 | 175.2 | -97.7 | 0 | 0 | 0 | 0 | 113.5 | R837 I838 E839 T844 S845 | R837-C841 PolarHBondContact O-N 3.49Å; I838-C841 PolarHBondContact O-N 2.93Å; E839-C841 VanDerWaalsContact C-N 3.33Å; E839-C841 PolarHBondContact O-N 3.31Å; C841-T844 PolarHBondContact O-OG1 3.02Å; C841-S845 PolarHBondContact O-OG 3.27Å |
| 842 | Q | 54.5 | Low | 48.9 | Very low | 100 Ų | 100 | 122.6 Ų | 122.6 | 47% | 0.467 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -78.1 | -31.2 | 178.3 | -75.2 | 178.8 | 5 | 0 | 0 | 112.4 | M825 I838 E839 T844 | M825-Q842 VanDerWaalsContact CE-NE2 3.25Å; I838-Q842 HydrophobicContact CG2-CG 4.44Å; I838-Q842 WeakPolarHBondContact O-CG 3.45Å; I838-Q842 PolarHBondContact O-N 3.09Å; E839-Q842 PolarHBondContact O-N 3.34Å; Q842-T844 VanDerWaalsContact C-N 3.33Å; Q842-T844 PolarHBondContact O-N 3.43Å |
| 843 | Q | 51.4 | Low | 47.5 | Very low | 158 Ų | 158 | 120.5 Ų | 120.5 | 74% | 0.738 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | -8.6 | 179.3 | -69 | 177.2 | 11.7 | 0 | 0 | 114.2 | E839 | E839-Q843 WeakPolarHBondContact O-CG 3.34Å; E839-Q843 PolarHBondContact O-N 2.97Å; E839-Q843 VanDerWaalsContact O-N 3.16Å |
| 844 | T | 48.2 | Very low | 46.3 | Very low | 112 Ų | 112 | 122.5 Ų | 122.5 | 69% | 0.687 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.8 | 6.1 | -179.7 | 41 | 0 | 0 | 0 | 0 | 114.1 | E840 C841 Q842 | E840-T844 PolarHBondContact O-OG1 2.98Å; C841-T844 PolarHBondContact O-OG1 3.02Å; Q842-T844 VanDerWaalsContact C-N 3.33Å; Q842-T844 PolarHBondContact O-N 3.43Å |
| 845 | S | 43.3 | Very low | 44.9 | Very low | 101 Ų | 101 | 127.1 Ų | 127.1 | 71% | 0.706 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -107.7 | 4.6 | -179.3 | -55.4 | 0 | 0 | 0 | 0 | 114.6 | C841 | C841-S845 PolarHBondContact O-OG 3.27Š|
| 846 | E | 34.5 | Very low | 43.7 | Very low | 172 Ų | 172 | 130.7 Ų | 130.7 | 80% | 0.804 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -113.3 | 86.3 | 173.1 | -68.3 | -176.5 | 167.4 | 0 | 0 | 108.8 | ||
| 847 | E | 33.7 | Very low | 42.3 | Very low | 173 Ų | 173 | 130.5 Ų | 130.5 | 81% | 0.808 | 70% | 0.696 | S | S | * | * | S | Bend | trans | 146.7 | 113.4 | 159.1 | -81.9 | 178.8 | -166.1 | 0 | 0 | 112.1 | ||
| 848 | K | 31.6 | Very low | 41.1 | Very low | 183 Ų | 183 | 128.2 Ų | 128.2 | 80% | 0.796 | 70% | 0.698 | S | S | * | * | trans | 72.9 | 97.5 | 157.6 | -60.4 | 170.5 | 179.3 | 162 | 0 | 120.2 | ||||
| 849 | E | 31.9 | Very low | 39.8 | Very low | 199 Ų | 199 | 135.8 Ų | 135.8 | 93% | 0.93 | 73% | 0.73 | S | S | * | * | trans | -92.2 | 119.6 | 136.8 | -72.1 | -179.5 | 159 | 0 | 0 | 105.9 | ||||
| 850 | C | 30.1 | Very low | 38.6 | Very low | 103 Ų | 103 | 133.5 Ų | 133.5 | 70% | 0.696 | 74% | 0.738 | S | S | * | * | cis | 45.6 | 120 | 27.3 | -101.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 851 | D | 33.4 | Very low | 37.7 | Very low | 139 Ų | 139 | 132.8 Ų | 132.8 | 74% | 0.743 | 75% | 0.748 | S | S | * | * | cis | -171.4 | 168.6 | 29.3 | -145.5 | -32.4 | 0 | 0 | 0 | 109.5 | ||||
| 852 | S | 32.9 | Very low | 37.1 | Very low | 83 Ų | 83 | 133.8 Ų | 133.8 | 58% | 0.58 | 76% | 0.757 | S | S | * | * | trans | -60.5 | 155.1 | -180 | 52.2 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 853 | N | 30.9 | Very low | 36.6 | Very low | 147 Ų | 147 | 135.4 Ų | 135.4 | 79% | 0.786 | 76% | 0.764 | S | S | * | * | trans | 62.2 | 119.1 | 151.8 | -60 | -29.9 | 0 | 0 | 0 | 120 | ||||
| 854 | L | 37.8 | Very low | 36.5 | Very low | 182 Ų | 182 | 131.2 Ų | 131.2 | 95% | 0.953 | 75% | 0.751 | S | S | * | * | -176 | 142.2 | 119.7 | -96.4 | 146.8 | 0 | 0 | 0 | 113.1 | |||||
| 855 | D | 33.1 | Very low | 36.3 | Very low | 148 Ų | 148 | 133.3 Ų | 133.3 | 79% | 0.791 | 75% | 0.751 | S | S | * | * | trans | -64.5 | 164.9 | -171.1 | -141.2 | -14.8 | 0 | 0 | 0 | 115.5 | ||||
| 856 | S | 39.3 | Very low | 36.9 | Very low | 118 Ų | 118 | 132.3 Ų | 132.3 | 83% | 0.825 | 74% | 0.741 | S | S | * | * | trans | 69.3 | 125.4 | 170.7 | 74.2 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 857 | G | 29.3 | Very low | 38.2 | Very low | 67 Ų | 67 | 128 Ų | 128 | 69% | 0.691 | 72% | 0.723 | S | S | * | * | cis | 172.1 | 159.5 | 1.8 | 0 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 858 | D | 35.7 | Very low | 39.7 | Very low | 142 Ų | 142 | 124.1 Ų | 124.1 | 76% | 0.759 | 71% | 0.705 | S | S | * | * | trans | 82 | 138.2 | 165.1 | -145.3 | 4.8 | 0 | 0 | 0 | 118 | ||||
| 859 | F | 33.4 | Very low | 41.7 | Very low | 183 Ų | 183 | 119.8 Ų | 119.8 | 80% | 0.803 | 69% | 0.689 | S | S | * | * | trans | 70.5 | 85.5 | 171.6 | -69.9 | -79.5 | 0 | 0 | 0 | 121.6 | ||||
| 860 | G | 32.3 | Very low | 43.8 | Very low | 68 Ų | 68 | 114.9 Ų | 114.9 | 70% | 0.701 | 67% | 0.67 | S | S | * | * | 77.2 | 130.2 | 113 | 0 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 861 | S | 39.3 | Very low | 46 | Very low | 123 Ų | 123 | 115.9 Ų | 115.9 | 86% | 0.86 | 66% | 0.664 | S | S | * | * | trans | 95.1 | 19 | 154 | 83.7 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 862 | S | 42.3 | Very low | 48 | Very low | 109 Ų | 109 | 113.6 Ų | 113.6 | 76% | 0.762 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -118 | -6.8 | 168.6 | -156.2 | 0 | 0 | 0 | 0 | 115.5 | C864 | S862-C864 VanDerWaalsContact C-N 3.27Å; S862-C864 PolarHBondContact O-N 3.39Å |
| 863 | H | 44.5 | Very low | 50.2 | Low | 134 Ų | 134 | 113.5 Ų | 113.5 | 62% | 0.62 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -77 | -10.7 | 172.8 | -120.1 | -82.7 | 0 | 0 | 0 | 113.7 | F865 D867 | H863-F865 PolarHBondContact O-N 2.93Å; H863-D867 IonicContact CE1-OD1 3.79Å; H863-D867 IonicContact CG-OD2 3.77Å; H863-D867 IonicContact ND1-OD1 3.2Å; H863-D867 PolarHBondContact ND1-OD1 3.03Å; H863-D867 IonicContact ND1-OD2 3.04Å; H863-D867 PolarHBondContact ND1-OD2 3.33Å; H863-D867 WeakPolarHBondContact O-CB 3.41Å; H863-D867 PolarHBondContact O-N 3.36Å; H863-D867 VanDerWaalsContact O-N 3.1Å |
| 864 | C | 48.4 | Very low | 52.6 | Low | 69 Ų | 69 | 115.5 Ų | 115.5 | 47% | 0.466 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -71.4 | -32 | -173.2 | -164 | 0 | 0 | 0 | 0 | 113.3 | S862 Q868 | S862-C864 VanDerWaalsContact C-N 3.27Å; S862-C864 PolarHBondContact O-N 3.39Å; C864-Q868 WeakPolarHBondContact O-CB 3.45Å; C864-Q868 VanDerWaalsContact O-CD 3.29Å; C864-Q868 WeakPolarHBondContact O-CG 3.36Å; C864-Q868 PolarHBondContact O-N 3.3Å; C864-Q868 VanDerWaalsContact O-N 3.15Å; C864-Q868 PolarHBondContact SG-NE2 3.29Å |
| 865 | F | 45.8 | Very low | 54.7 | Low | 157 Ų | 157 | 111.4 Ų | 111.4 | 69% | 0.689 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -83.1 | -37.4 | -178.2 | -96.3 | -81.6 | 0 | 0 | 0 | 113.6 | H863 I869 | H863-F865 PolarHBondContact O-N 2.93Å; F865-I869 WeakPolarHBondContact O-CD1 3.49Å; F865-I869 VanDerWaalsContact O-CG1 3.26Å; F865-I869 WeakPolarHBondContact O-CG1 3.48Å; F865-I869 PolarHBondContact O-N 2.76Å |
| 866 | T | 55.4 | Low | 57.2 | Low | 80 Ų | 80 | 110.1 Ų | 110.1 | 49% | 0.491 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -73.6 | -39 | 174.8 | 39.9 | 0 | 0 | 0 | 0 | 111.9 | Q868 I869 D870 | T866-Q868 VanDerWaalsContact C-N 3.32Å; T866-Q868 PolarHBondContact O-N 3.15Å; T866-I869 PolarHBondContact O-N 3.03Å; T866-D870 WeakPolarHBondContact O-CB 3.39Å; T866-D870 PolarHBondContact O-N 3Å |
| 867 | D | 62 | Low | 59.4 | Low | 81 Ų | 81 | 109.6 Ų | 109.6 | 43% | 0.433 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -67.5 | -33.8 | 174.9 | -68.7 | -18.4 | 0 | 0 | 0 | 111.4 | H863 Q871 | H863-D867 IonicContact CE1-OD1 3.79Å; H863-D867 IonicContact CG-OD2 3.77Å; H863-D867 IonicContact ND1-OD1 3.2Å; H863-D867 PolarHBondContact ND1-OD1 3.03Å; H863-D867 IonicContact ND1-OD2 3.04Å; H863-D867 PolarHBondContact ND1-OD2 3.33Å; H863-D867 WeakPolarHBondContact O-CB 3.41Å; H863-D867 PolarHBondContact O-N 3.36Å; H863-D867 VanDerWaalsContact O-N 3.1Å; D867-Q871 WeakPolarHBondContact O-CB 3.43Å; D867-Q871 PolarHBondContact O-N 2.87Å |
| 868 | Q | 63.7 | Low | 62 | Low | 91 Ų | 91 | 112 Ų | 112 | 43% | 0.425 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -69.3 | -39.4 | 173.3 | -79.7 | 173.9 | 5.5 | 0 | 0 | 112.7 | C864 T866 Q871 I872 | C864-Q868 WeakPolarHBondContact O-CB 3.45Å; C864-Q868 VanDerWaalsContact O-CD 3.29Å; C864-Q868 WeakPolarHBondContact O-CG 3.36Å; C864-Q868 PolarHBondContact O-N 3.3Å; C864-Q868 VanDerWaalsContact O-N 3.15Å; C864-Q868 PolarHBondContact SG-NE2 3.29Å; T866-Q868 VanDerWaalsContact C-N 3.32Å; T866-Q868 PolarHBondContact O-N 3.15Å; Q868-Q871 PolarHBondContact O-N 3.38Å; Q868-I872 WeakPolarHBondContact O-CB 3.35Å; Q868-I872 WeakPolarHBondContact O-CG1 3.37Å; Q868-I872 PolarHBondContact O-N 3.43Å |
| 869 | I | 74.5 | Confident | 64.4 | Low | 92 Ų | 92 | 109.9 Ų | 109.9 | 47% | 0.472 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -66.3 | -42.1 | 175.1 | -69.5 | 166.1 | 0 | 0 | 0 | 110.4 | F865 T866 Q871 I872 N873 | F865-I869 WeakPolarHBondContact O-CD1 3.49Å; F865-I869 VanDerWaalsContact O-CG1 3.26Å; F865-I869 WeakPolarHBondContact O-CG1 3.48Å; F865-I869 PolarHBondContact O-N 2.76Å; T866-I869 PolarHBondContact O-N 3.03Å; I869-Q871 VanDerWaalsContact C-N 3.33Å; I869-Q871 PolarHBondContact O-N 3.01Å; I869-I872 PolarHBondContact O-N 2.98Å; I869-N873 WeakPolarHBondContact O-CB 3.47Å; I869-N873 VanDerWaalsContact O-CG 3.25Å; I869-N873 PolarHBondContact O-N 3.39Å; I869-N873 PolarHBondContact O-ND2 3.49Å |
| 870 | D | 75.6 | Confident | 66.9 | Low | 97 Ų | 97 | 103.9 Ų | 103.9 | 52% | 0.519 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -67.1 | -34.2 | 175.7 | -80.2 | -15.8 | 0 | 0 | 0 | 112.4 | T866 R874 | T866-D870 WeakPolarHBondContact O-CB 3.39Å; T866-D870 PolarHBondContact O-N 3Å; D870-R874 WeakPolarHBondContact O-CB 3.29Å; D870-R874 PolarHBondContact O-N 3.4Å |
| 871 | Q | 75.8 | Confident | 69.4 | Low | 123 Ų | 123 | 106.2 Ų | 106.2 | 58% | 0.575 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -72.2 | -37.9 | 175.2 | -168.6 | 163 | 9.8 | 0 | 0 | 112.1 | D867 Q868 I869 R874 L875 | D867-Q871 WeakPolarHBondContact O-CB 3.43Å; D867-Q871 PolarHBondContact O-N 2.87Å; Q868-Q871 PolarHBondContact O-N 3.38Å; I869-Q871 VanDerWaalsContact C-N 3.33Å; I869-Q871 PolarHBondContact O-N 3.01Å; Q871-R874 PolarHBondContact O-N 3.26Å; Q871-L875 HydrophobicContact CG-CD1 4.37Å; Q871-L875 WeakPolarHBondContact O-CB 3.17Å; Q871-L875 VanDerWaalsContact O-CG 3.28Å; Q871-L875 WeakPolarHBondContact O-CG 3.39Å; Q871-L875 PolarHBondContact O-N 2.92Å |
| 872 | I | 77.1 | Confident | 71.5 | Confident | 92 Ų | 92 | 103 Ų | 103 | 47% | 0.472 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.5 | -48 | 171.5 | -71.2 | 165.3 | 0 | 0 | 0 | 109.8 | Q868 I869 R874 L875 E876 | Q868-I872 WeakPolarHBondContact O-CB 3.35Å; Q868-I872 WeakPolarHBondContact O-CG1 3.37Å; Q868-I872 PolarHBondContact O-N 3.43Å; I869-I872 PolarHBondContact O-N 2.98Å; I872-R874 VanDerWaalsContact C-N 3.3Å; I872-R874 PolarHBondContact O-N 3.23Å; I872-L875 PolarHBondContact O-N 2.93Å; I872-L875 VanDerWaalsContact O-N 3.17Å; I872-E876 HydrophobicContact CG2-CG 4.3Å; I872-E876 WeakPolarHBondContact O-CB 3.43Å; I872-E876 WeakPolarHBondContact O-CG 3.33Å; I872-E876 PolarHBondContact O-N 3.17Å |
| 873 | N | 77.9 | Confident | 73.6 | Confident | 80 Ų | 80 | 104 Ų | 104 | 43% | 0.428 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.3 | -39 | 177.3 | -73.7 | -26.9 | 0 | 0 | 0 | 111.9 | I869 L877 | I869-N873 WeakPolarHBondContact O-CB 3.47Å; I869-N873 VanDerWaalsContact O-CG 3.25Å; I869-N873 PolarHBondContact O-N 3.39Å; I869-N873 PolarHBondContact O-ND2 3.49Å; N873-L877 WeakPolarHBondContact O-CB 3.29Å; N873-L877 PolarHBondContact O-N 3.49Å |
| 874 | R | 80.9 | Confident | 75.6 | Confident | 189 Ų | 189 | 102.9 Ų | 102.9 | 71% | 0.713 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.3 | -46.1 | 173.5 | -88 | -175.9 | 177.4 | 163.4 | 2.7 | 112.4 | D870 Q871 I872 E876 L877 E878 | D870-R874 WeakPolarHBondContact O-CB 3.29Å; D870-R874 PolarHBondContact O-N 3.4Å; Q871-R874 PolarHBondContact O-N 3.26Å; I872-R874 VanDerWaalsContact C-N 3.3Å; I872-R874 PolarHBondContact O-N 3.23Å; R874-E876 VanDerWaalsContact C-N 3.34Å; R874-L877 PolarHBondContact O-N 2.96Å; R874-E878 WeakPolarHBondContact O-CG 3.46Å; R874-E878 PolarHBondContact O-N 3.05Å |
| 875 | L | 83.6 | Confident | 77.4 | Confident | 97 Ų | 97 | 105.8 Ų | 105.8 | 51% | 0.508 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.4 | -36.8 | 179.2 | -72.7 | 170.6 | 0 | 0 | 0 | 111.9 | Q871 I872 L877 L879 | Q871-L875 HydrophobicContact CG-CD1 4.37Å; Q871-L875 WeakPolarHBondContact O-CB 3.17Å; Q871-L875 VanDerWaalsContact O-CG 3.28Å; Q871-L875 WeakPolarHBondContact O-CG 3.39Å; Q871-L875 PolarHBondContact O-N 2.92Å; I872-L875 PolarHBondContact O-N 2.93Å; I872-L875 VanDerWaalsContact O-N 3.17Å; L875-L877 VanDerWaalsContact C-N 3.32Å; L875-L879 VanDerWaalsContact O-CB 3.26Å; L875-L879 WeakPolarHBondContact O-CB 3.42Å; L875-L879 PolarHBondContact O-N 2.94Å |
| 876 | E | 83.7 | Confident | 79.3 | Confident | 120 Ų | 120 | 103.2 Ų | 103.2 | 56% | 0.561 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.5 | -38.1 | 173 | -74.9 | -174.1 | 167 | 0 | 0 | 111.6 | I872 R874 A880 | I872-E876 HydrophobicContact CG2-CG 4.3Å; I872-E876 WeakPolarHBondContact O-CB 3.43Å; I872-E876 WeakPolarHBondContact O-CG 3.33Å; I872-E876 PolarHBondContact O-N 3.17Å; R874-E876 VanDerWaalsContact C-N 3.34Å; E876-A880 WeakPolarHBondContact O-CB 3.4Å; E876-A880 PolarHBondContact O-N 3.37Å |
| 877 | L | 86.2 | Confident | 80.7 | Confident | 108 Ų | 108 | 103.9 Ų | 103.9 | 57% | 0.565 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -72.2 | -39.1 | 177.8 | -149.9 | 135.1 | 0 | 0 | 0 | 112.1 | N873 R874 L875 A880 Q881 | N873-L877 WeakPolarHBondContact O-CB 3.29Å; N873-L877 PolarHBondContact O-N 3.49Å; R874-L877 PolarHBondContact O-N 2.96Å; L875-L877 VanDerWaalsContact C-N 3.32Å; L877-A880 PolarHBondContact O-N 3.37Å; L877-Q881 WeakPolarHBondContact O-CG 3.35Å; L877-Q881 PolarHBondContact O-N 3.48Å |
| 878 | E | 84.6 | Confident | 81.9 | Confident | 117 Ų | 117 | 105.1 Ų | 105.1 | 55% | 0.547 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.9 | -41.9 | 171.8 | -76.9 | -179.5 | -179.6 | 0 | 0 | 111.7 | R874 A880 Q881 A882 | R874-E878 WeakPolarHBondContact O-CG 3.46Å; R874-E878 PolarHBondContact O-N 3.05Å; E878-A880 VanDerWaalsContact C-N 3.34Å; E878-A880 PolarHBondContact O-N 2.99Å; E878-Q881 PolarHBondContact O-N 2.83Å; E878-A882 WeakPolarHBondContact O-CB 3.4Å; E878-A882 PolarHBondContact O-N 3.44Å |
| 879 | L | 85 | Confident | 82.8 | Confident | 98 Ų | 98 | 104.6 Ų | 104.6 | 51% | 0.513 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.3 | -40.7 | 175 | -174.9 | 72.6 | 0 | 0 | 0 | 111.4 | L875 A882 K883 | L875-L879 VanDerWaalsContact O-CB 3.26Å; L875-L879 WeakPolarHBondContact O-CB 3.42Å; L875-L879 PolarHBondContact O-N 2.94Å; L879-A882 PolarHBondContact O-N 3.34Å; L879-K883 HydrophobicContact CG-CD 4.48Å; L879-K883 WeakPolarHBondContact O-CB 3.36Å; L879-K883 WeakPolarHBondContact O-CG 3.24Å; L879-K883 PolarHBondContact O-N 3.5Å |
| 880 | A | 85.7 | Confident | 83.2 | Confident | 56 Ų | 56 | 105.6 Ų | 105.6 | 46% | 0.463 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.7 | -42.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | E876 L877 E878 K883 L884 | E876-A880 WeakPolarHBondContact O-CB 3.4Å; E876-A880 PolarHBondContact O-N 3.37Å; L877-A880 PolarHBondContact O-N 3.37Å; E878-A880 VanDerWaalsContact C-N 3.34Å; E878-A880 PolarHBondContact O-N 2.99Å; A880-K883 PolarHBondContact O-N 3.47Å; A880-L884 PolarHBondContact O-N 2.83Å |
| 881 | Q | 85.3 | Confident | 83.7 | Confident | 118 Ų | 118 | 104.4 Ų | 104.4 | 55% | 0.551 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -65.2 | -43.2 | 175.6 | -78.1 | -179.9 | -14.4 | 0 | 0 | 112.7 | L877 E878 K883 L884 Q885 | L877-Q881 WeakPolarHBondContact O-CG 3.35Å; L877-Q881 PolarHBondContact O-N 3.48Å; E878-Q881 PolarHBondContact O-N 2.83Å; Q881-K883 VanDerWaalsContact C-N 3.34Å; Q881-K883 PolarHBondContact O-N 3.43Å; Q881-L884 PolarHBondContact O-N 2.87Å; Q881-Q885 PolarHBondContact O-N 3.2Å |
| 882 | A | 84.2 | Confident | 84.1 | Confident | 55 Ų | 55 | 106.9 Ų | 106.9 | 46% | 0.455 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.7 | -40.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | E878 L879 Q885 L886 | E878-A882 WeakPolarHBondContact O-CB 3.4Å; E878-A882 PolarHBondContact O-N 3.44Å; L879-A882 PolarHBondContact O-N 3.34Å; A882-Q885 PolarHBondContact O-N 3.47Å; A882-L886 PolarHBondContact O-N 3.32Å |
| 883 | K | 85.6 | Confident | 84.4 | Confident | 129 Ų | 129 | 107.5 Ų | 107.5 | 56% | 0.561 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -65.3 | -39.3 | 173.8 | -76.4 | 180 | 177.1 | 180 | 0 | 112.1 | L879 A880 Q881 L886 V887 | L879-K883 HydrophobicContact CG-CD 4.48Å; L879-K883 WeakPolarHBondContact O-CB 3.36Å; L879-K883 WeakPolarHBondContact O-CG 3.24Å; L879-K883 PolarHBondContact O-N 3.5Å; A880-K883 PolarHBondContact O-N 3.47Å; Q881-K883 VanDerWaalsContact C-N 3.34Å; Q881-K883 PolarHBondContact O-N 3.43Å; K883-L886 PolarHBondContact O-N 2.86Å; K883-V887 WeakPolarHBondContact O-CG2 3.43Å; K883-V887 PolarHBondContact O-N 3.44Å; K883-V887 VanDerWaalsContact O-N 3.13Å |
| 884 | L | 87.3 | Confident | 84.5 | Confident | 112 Ų | 112 | 110.5 Ų | 110.5 | 59% | 0.586 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -62.8 | -45.2 | 176 | -141.5 | 98.3 | 0 | 0 | 0 | 111.1 | A880 Q881 L886 V887 E888 | A880-L884 PolarHBondContact O-N 2.83Å; Q881-L884 PolarHBondContact O-N 2.87Å; L884-L886 VanDerWaalsContact C-N 3.33Å; L884-L886 PolarHBondContact O-N 3.15Å; L884-V887 PolarHBondContact O-N 3.05Å; L884-E888 WeakPolarHBondContact O-CG 3.48Å; L884-E888 PolarHBondContact O-N 2.93Å |
| 885 | Q | 85.7 | Confident | 84.6 | Confident | 130 Ų | 130 | 106 Ų | 106 | 61% | 0.607 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -63.1 | -37.1 | 177.2 | -76.4 | -176.3 | -13.2 | 0 | 0 | 112.9 | Q881 A882 E888 C889 | Q881-Q885 PolarHBondContact O-N 3.2Å; A882-Q885 PolarHBondContact O-N 3.47Å; Q885-E888 PolarHBondContact O-N 3.01Å; Q885-C889 WeakPolarHBondContact O-CB 3.3Å; Q885-C889 PolarHBondContact O-N 3.18Å; Q885-C889 PolarHBondContact O-SG 2.87Å |
| 886 | L | 85.7 | Confident | 84.4 | Confident | 103 Ų | 103 | 106.3 Ų | 106.3 | 54% | 0.539 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63 | -47.4 | 175.4 | -174.7 | 69 | 0 | 0 | 0 | 111 | A882 K883 L884 E888 C889 E890 | A882-L886 PolarHBondContact O-N 3.32Å; K883-L886 PolarHBondContact O-N 2.86Å; L884-L886 VanDerWaalsContact C-N 3.33Å; L884-L886 PolarHBondContact O-N 3.15Å; L886-E888 PolarHBondContact O-N 3.47Å; L886-C889 PolarHBondContact O-N 2.89Å; L886-E890 WeakPolarHBondContact O-CG 3.44Å; L886-E890 PolarHBondContact O-N 3.24Å |
| 887 | V | 85.9 | Confident | 84 | Confident | 93 Ų | 93 | 106.2 Ų | 106.2 | 56% | 0.564 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63.6 | -40.8 | 178.1 | 173.9 | 0 | 0 | 0 | 0 | 111.3 | K883 L884 E890 C891 | K883-V887 WeakPolarHBondContact O-CG2 3.43Å; K883-V887 PolarHBondContact O-N 3.44Å; K883-V887 VanDerWaalsContact O-N 3.13Å; L884-V887 PolarHBondContact O-N 3.05Å; V887-E890 PolarHBondContact O-N 3.09Å; V887-C891 WeakPolarHBondContact O-CB 3.29Å; V887-C891 PolarHBondContact O-N 3.14Å |
| 888 | E | 85.9 | Confident | 83.5 | Confident | 108 Ų | 108 | 106.5 Ų | 106.5 | 51% | 0.505 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.1 | -40.8 | 175 | -75.2 | -179.8 | 173.3 | 0 | 0 | 112.3 | L884 Q885 L886 R892 | L884-E888 WeakPolarHBondContact O-CG 3.48Å; L884-E888 PolarHBondContact O-N 2.93Å; Q885-E888 PolarHBondContact O-N 3.01Å; L886-E888 PolarHBondContact O-N 3.47Å; E888-R892 WeakPolarHBondContact O-CB 3.12Å; E888-R892 PolarHBondContact O-N 2.96Å |
| 889 | C | 82.3 | Confident | 83.2 | Confident | 80 Ų | 80 | 106.4 Ų | 106.4 | 54% | 0.541 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66.1 | -43 | 175.6 | -82.5 | 0 | 0 | 0 | 0 | 112.2 | Q885 L886 R892 N893 | Q885-C889 WeakPolarHBondContact O-CB 3.3Å; Q885-C889 PolarHBondContact O-N 3.18Å; Q885-C889 PolarHBondContact O-SG 2.87Å; L886-C889 PolarHBondContact O-N 2.89Å; C889-R892 PolarHBondContact O-N 3.15Å; C889-N893 WeakPolarHBondContact O-CB 3.32Å; C889-N893 PolarHBondContact O-N 3.15Å |
| 890 | E | 84.3 | Confident | 82.6 | Confident | 113 Ų | 113 | 106.8 Ų | 106.8 | 53% | 0.528 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.8 | -42.5 | 176.3 | -73.9 | 179 | 170.1 | 0 | 0 | 111.7 | L886 V887 R892 N893 Q894 | L886-E890 WeakPolarHBondContact O-CG 3.44Å; L886-E890 PolarHBondContact O-N 3.24Å; V887-E890 PolarHBondContact O-N 3.09Å; E890-R892 PolarHBondContact O-N 3.15Å; E890-N893 PolarHBondContact O-N 3.31Å; E890-Q894 PolarHBondContact O-N 3.07Å |
| 891 | C | 84.4 | Confident | 82 | Confident | 72 Ų | 72 | 108.8 Ų | 108.8 | 49% | 0.486 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64.2 | -40.4 | 176.2 | -159.5 | 0 | 0 | 0 | 0 | 111.5 | V887 N893 Q894 D895 | V887-C891 WeakPolarHBondContact O-CB 3.29Å; V887-C891 PolarHBondContact O-N 3.14Å; C891-N893 VanDerWaalsContact C-N 3.33Å; C891-N893 PolarHBondContact O-N 3.39Å; C891-Q894 PolarHBondContact O-N 3.03Å; C891-D895 PolarHBondContact O-N 3.43Å |
| 892 | R | 85.9 | Confident | 81.3 | Confident | 175 Ų | 175 | 108.9 Ų | 108.9 | 66% | 0.66 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -61.9 | -39.1 | 172.5 | -109.1 | -177.4 | -177.7 | 131.2 | 1.3 | 112.6 | E888 C889 E890 D895 L896 | E888-R892 WeakPolarHBondContact O-CB 3.12Å; E888-R892 PolarHBondContact O-N 2.96Å; C889-R892 PolarHBondContact O-N 3.15Å; E890-R892 PolarHBondContact O-N 3.15Å; R892-D895 PolarHBondContact O-N 3.17Å; R892-L896 WeakPolarHBondContact O-CB 3.23Å; R892-L896 WeakPolarHBondContact O-CG 3.34Å; R892-L896 PolarHBondContact O-N 2.95Å |
| 893 | N | 83.1 | Confident | 80.3 | Confident | 105 Ų | 105 | 110.6 Ų | 110.6 | 56% | 0.561 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -68.6 | -39.1 | -179.5 | -134.4 | -13.3 | 0 | 0 | 0 | 111 | C889 E890 C891 L896 M897 | C889-N893 WeakPolarHBondContact O-CB 3.32Å; C889-N893 PolarHBondContact O-N 3.15Å; E890-N893 PolarHBondContact O-N 3.31Å; C891-N893 VanDerWaalsContact C-N 3.33Å; C891-N893 PolarHBondContact O-N 3.39Å; N893-L896 PolarHBondContact O-N 2.98Å; N893-M897 WeakPolarHBondContact O-CB 3.2Å; N893-M897 WeakPolarHBondContact O-CG 3.39Å; N893-M897 PolarHBondContact O-N 3.35Å |
| 894 | Q | 79.4 | Confident | 79.2 | Confident | 143 Ų | 143 | 110.5 Ų | 110.5 | 67% | 0.668 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -63.5 | -43.3 | 171.8 | -76.6 | -174.8 | -11.7 | 0 | 0 | 112.4 | E890 C891 M897 H898 | E890-Q894 PolarHBondContact O-N 3.07Å; C891-Q894 PolarHBondContact O-N 3.03Å; Q894-M897 PolarHBondContact O-N 3.07Å; Q894-H898 WeakPolarHBondContact O-CB 3.47Å; Q894-H898 PolarHBondContact O-N 2.82Å |
| 895 | D | 83.1 | Confident | 77.7 | Confident | 95 Ų | 95 | 108 Ų | 108 | 51% | 0.508 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62.5 | -43.6 | 176 | -103 | -3.8 | 0 | 0 | 0 | 112.1 | C891 R892 H898 Q899 | C891-D895 PolarHBondContact O-N 3.43Å; R892-D895 PolarHBondContact O-N 3.17Å; D895-H898 PolarHBondContact O-N 3.41Å; D895-Q899 WeakPolarHBondContact O-CG 3.35Å; D895-Q899 PolarHBondContact O-N 2.83Å |
| 896 | L | 79.9 | Confident | 76.2 | Confident | 102 Ų | 102 | 104.3 Ų | 104.3 | 53% | 0.534 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.7 | -41.2 | 176.3 | -76.5 | 170.2 | 0 | 0 | 0 | 111.9 | R892 N893 H898 Q899 L900 | R892-L896 WeakPolarHBondContact O-CB 3.23Å; R892-L896 WeakPolarHBondContact O-CG 3.34Å; R892-L896 PolarHBondContact O-N 2.95Å; N893-L896 PolarHBondContact O-N 2.98Å; L896-H898 VanDerWaalsContact C-N 3.31Å; L896-H898 PolarHBondContact O-N 3.46Å; L896-Q899 PolarHBondContact O-N 3.06Å; L896-L900 WeakPolarHBondContact O-CB 3.23Å; L896-L900 PolarHBondContact O-N 3.25Å |
| 897 | M | 75.1 | Confident | 74.6 | Confident | 118 Ų | 118 | 106.1 Ų | 106.1 | 58% | 0.581 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -62.1 | -39.7 | 173.1 | -80.1 | -175.5 | 54.9 | 0 | 0 | 111.9 | N893 Q894 L900 N901 | N893-M897 WeakPolarHBondContact O-CB 3.2Å; N893-M897 WeakPolarHBondContact O-CG 3.39Å; N893-M897 PolarHBondContact O-N 3.35Å; Q894-M897 PolarHBondContact O-N 3.07Å; M897-L900 PolarHBondContact O-N 2.77Å; M897-N901 PolarHBondContact O-N 2.85Å |
| 898 | H | 76.3 | Confident | 72.9 | Confident | 115 Ų | 115 | 108.8 Ų | 108.8 | 53% | 0.532 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -68.4 | -39.1 | 178.7 | -152.6 | 44.4 | 0 | 0 | 0 | 111.8 | Q894 D895 L896 N901 Q902 | Q894-H898 WeakPolarHBondContact O-CB 3.47Å; Q894-H898 PolarHBondContact O-N 2.82Å; D895-H898 PolarHBondContact O-N 3.41Å; L896-H898 VanDerWaalsContact C-N 3.31Å; L896-H898 PolarHBondContact O-N 3.46Å; H898-N901 PolarHBondContact O-N 3.4Å; H898-Q902 WeakPolarHBondContact O-CG 3.41Å; H898-Q902 PolarHBondContact O-N 3.37Å |
| 899 | Q | 77.7 | Confident | 71.3 | Confident | 115 Ų | 115 | 110.6 Ų | 110.6 | 54% | 0.537 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -64.8 | -40.8 | 172.3 | -71.6 | 177.2 | 20.1 | 0 | 0 | 112.4 | D895 L896 Q902 C903 | D895-Q899 WeakPolarHBondContact O-CG 3.35Å; D895-Q899 PolarHBondContact O-N 2.83Å; L896-Q899 PolarHBondContact O-N 3.06Å; Q899-Q902 PolarHBondContact O-N 3.44Å; Q899-C903 WeakPolarHBondContact O-CB 3.31Å; Q899-C903 PolarHBondContact O-N 2.97Å |
| 900 | L | 72.8 | Confident | 69.7 | Low | 105 Ų | 105 | 112.7 Ų | 112.7 | 55% | 0.55 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -61.1 | -47.7 | 177 | -160.8 | 101.8 | 0 | 0 | 0 | 110.5 | L896 M897 Q902 C903 H904 | L896-L900 WeakPolarHBondContact O-CB 3.23Å; L896-L900 PolarHBondContact O-N 3.25Å; M897-L900 PolarHBondContact O-N 2.77Å; L900-Q902 VanDerWaalsContact C-N 3.34Å; L900-Q902 PolarHBondContact O-N 3.26Å; L900-C903 PolarHBondContact O-N 3.44Å; L900-C903 VanDerWaalsContact O-N 3.15Å; L900-H904 PolarHBondContact O-CD2 2.97Å; L900-H904 VanDerWaalsContact O-CD2 3.22Å; L900-H904 PolarHBondContact O-N 3.14Å |
| 901 | N | 72.2 | Confident | 68.2 | Low | 98 Ų | 98 | 110.5 Ų | 110.5 | 52% | 0.524 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -63.1 | -37.8 | 178 | -73.7 | -13.9 | 0 | 0 | 0 | 112.4 | M897 H898 A905 | M897-N901 PolarHBondContact O-N 2.85Å; H898-N901 PolarHBondContact O-N 3.4Å; N901-A905 PolarHBondContact O-N 2.93Å |
| 902 | Q | 71 | Confident | 66.9 | Low | 120 Ų | 120 | 110.5 Ų | 110.5 | 56% | 0.561 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -67.4 | -38 | 172.9 | -77.1 | -176.1 | 19.5 | 0 | 0 | 112.7 | H898 Q899 L900 A905 C906 | H898-Q902 WeakPolarHBondContact O-CG 3.41Å; H898-Q902 PolarHBondContact O-N 3.37Å; Q899-Q902 PolarHBondContact O-N 3.44Å; L900-Q902 VanDerWaalsContact C-N 3.34Å; L900-Q902 PolarHBondContact O-N 3.26Å; Q902-A905 PolarHBondContact O-N 2.97Å; Q902-C906 WeakPolarHBondContact O-CB 3.35Å; Q902-C906 PolarHBondContact O-N 3.37Å |
| 903 | C | 63.5 | Low | 65.6 | Low | 91 Ų | 91 | 110.5 Ų | 110.5 | 62% | 0.615 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -65.1 | -40.3 | 176 | -99.3 | 0 | 0 | 0 | 0 | 112.2 | Q899 L900 C906 H907 | Q899-C903 WeakPolarHBondContact O-CB 3.31Å; Q899-C903 PolarHBondContact O-N 2.97Å; L900-C903 PolarHBondContact O-N 3.44Å; L900-C903 VanDerWaalsContact O-N 3.15Å; C903-C906 PolarHBondContact O-N 2.91Å; C903-H907 PolarHBondContact O-N 3.37Å |
| 904 | H | 62 | Low | 64.7 | Low | 127 Ų | 127 | 109.5 Ų | 109.5 | 59% | 0.588 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -61.4 | -45.1 | 174.6 | -83.2 | -78.7 | 0 | 0 | 0 | 111.9 | L900 C906 H907 | L900-H904 PolarHBondContact O-CD2 2.97Å; L900-H904 VanDerWaalsContact O-CD2 3.22Å; L900-H904 PolarHBondContact O-N 3.14Å; H904-C906 VanDerWaalsContact C-N 3.33Å; H904-C906 PolarHBondContact O-N 3.4Å; H904-H907 PolarHBondContact O-N 3.2Å |
| 905 | A | 56.3 | Low | 63.8 | Low | 60 Ų | 60 | 105.2 Ų | 105.2 | 50% | 0.496 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.7 | -34.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | N901 Q902 | N901-A905 PolarHBondContact O-N 2.93Å; Q902-A905 PolarHBondContact O-N 2.97Å |
| 906 | C | 52.8 | Low | 62.8 | Low | 53 Ų | 53 | 108 Ų | 108 | 36% | 0.358 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -78.1 | -25 | 179.8 | -151.9 | 0 | 0 | 0 | 0 | 112.9 | Q902 C903 H904 Q909 K910 | Q902-C906 WeakPolarHBondContact O-CB 3.35Å; Q902-C906 PolarHBondContact O-N 3.37Å; C903-C906 PolarHBondContact O-N 2.91Å; H904-C906 VanDerWaalsContact C-N 3.33Å; H904-C906 PolarHBondContact O-N 3.4Å; C906-Q909 PolarHBondContact O-N 2.92Å; C906-K910 WeakPolarHBondContact O-CB 3.43Å; C906-K910 WeakPolarHBondContact O-CG 3.37Å; C906-K910 PolarHBondContact O-N 3.42Å |
| 907 | H | 52.9 | Low | 62.3 | Low | 140 Ų | 140 | 105.5 Ų | 105.5 | 65% | 0.648 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -73.1 | -31.4 | 179.7 | -143.5 | -86.9 | 0 | 0 | 0 | 112.6 | C903 H904 S911 | C903-H907 PolarHBondContact O-N 3.37Å; H904-H907 PolarHBondContact O-N 3.2Å; H907-S911 PolarHBondContact O-N 2.92Å; H907-S911 VanDerWaalsContact O-N 3.17Å; H907-S911 PolarHBondContact O-OG 3.32Å |
| 908 | E | 50.8 | Low | 62 | Low | 150 Ų | 150 | 104.4 Ų | 104.4 | 70% | 0.701 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -69.6 | -32.6 | 172.5 | -71.1 | -173.7 | 161 | 0 | 0 | 112.8 | S911 T912 | E908-S911 PolarHBondContact O-OG 2.99Å; E908-T912 PolarHBondContact O-OG1 3.35Å; E908-T912 VanDerWaalsContact O-OG1 3.04Å |
| 909 | Q | 52 | Low | 61.4 | Low | 145 Ų | 145 | 103.6 Ų | 103.6 | 68% | 0.678 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -80.7 | -32.2 | 174.5 | -73.5 | -170.3 | -19.5 | 0 | 0 | 113.5 | C906 T912 W913 | C906-Q909 PolarHBondContact O-N 2.92Å; Q909-T912 WeakPolarHBondContact CA-OG1 3.35Å; Q909-T912 PolarHBondContact O-OG1 2.98Å; Q909-W913 PolarHBondContact O-N 3.49Å; Q909-W913 VanDerWaalsContact O-N 3.15Å |
| 910 | K | 48.1 | Very low | 61 | Low | 125 Ų | 125 | 101.7 Ų | 101.7 | 54% | 0.543 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -73.3 | -33.9 | 177.4 | -78.8 | -179.6 | -179.6 | 175.3 | 0 | 112.9 | C906 T912 W913 I914 | C906-K910 WeakPolarHBondContact O-CB 3.43Å; C906-K910 WeakPolarHBondContact O-CG 3.37Å; C906-K910 PolarHBondContact O-N 3.42Å; K910-T912 VanDerWaalsContact C-N 3.3Å; K910-T912 PolarHBondContact O-N 3.22Å; K910-W913 PolarHBondContact O-N 3.4Å; K910-I914 WeakPolarHBondContact O-CB 3.48Å; K910-I914 WeakPolarHBondContact O-CG1 3.4Å; K910-I914 PolarHBondContact O-N 3.1Å |
| 911 | S | 53.8 | Low | 60.6 | Low | 67 Ų | 67 | 101.9 Ų | 101.9 | 47% | 0.469 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.7 | -33.3 | 175.9 | 69.5 | 0 | 0 | 0 | 0 | 112.3 | H907 E908 S915 | H907-S911 PolarHBondContact O-N 2.92Å; H907-S911 VanDerWaalsContact O-N 3.17Å; H907-S911 PolarHBondContact O-OG 3.32Å; E908-S911 PolarHBondContact O-OG 2.99Å; S911-S915 VanDerWaalsContact O-CB 3.31Å; S911-S915 WeakPolarHBondContact O-CB 3.46Å; S911-S915 PolarHBondContact O-N 2.98Å; S911-S915 VanDerWaalsContact O-N 3.14Å; S911-S915 PolarHBondContact O-OG 3.43Å |
| 912 | T | 55.5 | Low | 60.2 | Low | 72 Ų | 72 | 103.9 Ų | 103.9 | 44% | 0.442 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -78.2 | -32.7 | 175.8 | 39.2 | 0 | 0 | 0 | 0 | 113.4 | E908 Q909 K910 S915 K916 | E908-T912 PolarHBondContact O-OG1 3.35Å; E908-T912 VanDerWaalsContact O-OG1 3.04Å; Q909-T912 WeakPolarHBondContact CA-OG1 3.35Å; Q909-T912 PolarHBondContact O-OG1 2.98Å; K910-T912 VanDerWaalsContact C-N 3.3Å; K910-T912 PolarHBondContact O-N 3.22Å; T912-S915 WeakPolarHBondContact CA-OG 3.16Å; T912-S915 PolarHBondContact O-OG 3.48Å; T912-S915 VanDerWaalsContact O-OG 3.1Å; T912-K916 WeakPolarHBondContact O-CB 3.37Å; T912-K916 VanDerWaalsContact O-CG 3.28Å; T912-K916 WeakPolarHBondContact O-CG 3.49Å; T912-K916 PolarHBondContact O-N 2.92Å |
| 913 | W | 60 | Low | 59.7 | Low | 174 Ų | 174 | 105.1 Ų | 105.1 | 66% | 0.659 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -71.7 | -47.2 | 172.9 | -176.7 | 79 | 0 | 0 | 0 | 111.9 | Q909 K910 S915 K916 T917 | Q909-W913 PolarHBondContact O-N 3.49Å; Q909-W913 VanDerWaalsContact O-N 3.15Å; K910-W913 PolarHBondContact O-N 3.4Å; W913-S915 VanDerWaalsContact C-N 3.35Å; W913-S915 PolarHBondContact O-N 3.13Å; W913-K916 PolarHBondContact O-N 3.27Å; W913-T917 PolarHBondContact O-N 3.4Å; W913-T917 PolarHBondContact O-OG1 3.4Å; W913-T917 VanDerWaalsContact O-OG1 3.06Å |
| 914 | I | 63.6 | Low | 59.4 | Low | 85 Ų | 85 | 104.3 Ų | 104.3 | 44% | 0.436 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.6 | -41.1 | 179.2 | -68.7 | 172.9 | 0 | 0 | 0 | 111.1 | K910 T917 I918 | K910-I914 WeakPolarHBondContact O-CB 3.48Å; K910-I914 WeakPolarHBondContact O-CG1 3.4Å; K910-I914 PolarHBondContact O-N 3.1Å; I914-T917 PolarHBondContact O-N 2.93Å; I914-I918 HydrophobicContact CG2-CD1 3.57Å; I914-I918 HydrophobicContact CG2-CG1 4.2Å; I914-I918 WeakPolarHBondContact O-CB 3.36Å; I914-I918 VanDerWaalsContact O-CG1 3.27Å; I914-I918 WeakPolarHBondContact O-CG1 3.38Å; I914-I918 PolarHBondContact O-N 2.81Å |
| 915 | S | 60.5 | Low | 59.2 | Low | 52 Ų | 52 | 102.3 Ų | 102.3 | 36% | 0.364 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65 | -39.1 | 175.9 | 51.8 | 0 | 0 | 0 | 0 | 112.7 | S911 T912 W913 N919 | S911-S915 VanDerWaalsContact O-CB 3.31Å; S911-S915 WeakPolarHBondContact O-CB 3.46Å; S911-S915 PolarHBondContact O-N 2.98Å; S911-S915 VanDerWaalsContact O-N 3.14Å; S911-S915 PolarHBondContact O-OG 3.43Å; T912-S915 WeakPolarHBondContact CA-OG 3.16Å; T912-S915 PolarHBondContact O-OG 3.48Å; T912-S915 VanDerWaalsContact O-OG 3.1Å; W913-S915 VanDerWaalsContact C-N 3.35Å; W913-S915 PolarHBondContact O-N 3.13Å; S915-N919 WeakPolarHBondContact O-CB 3.26Å; S915-N919 VanDerWaalsContact O-CG 3.3Å; S915-N919 PolarHBondContact O-N 2.9Å; S915-N919 PolarHBondContact O-ND2 3.32Å |
| 916 | K | 62.4 | Low | 59 | Low | 155 Ų | 155 | 109.4 Ų | 109.4 | 67% | 0.674 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -65.9 | -39.9 | 173.4 | -76.2 | 176.9 | -179.6 | 176.7 | 0 | 112.4 | T912 W913 S920 | T912-K916 WeakPolarHBondContact O-CB 3.37Å; T912-K916 VanDerWaalsContact O-CG 3.28Å; T912-K916 WeakPolarHBondContact O-CG 3.49Å; T912-K916 PolarHBondContact O-N 2.92Å; W913-K916 PolarHBondContact O-N 3.27Å; K916-S920 WeakPolarHBondContact O-CB 3.45Å; K916-S920 PolarHBondContact O-N 2.9Å |
| 917 | T | 68.1 | Low | 58.7 | Low | 49 Ų | 49 | 113.2 Ų | 113.2 | 30% | 0.301 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -69.9 | -41.7 | 177.3 | -56.6 | 0 | 0 | 0 | 0 | 111.9 | W913 I914 S920 I921 | W913-T917 PolarHBondContact O-N 3.4Å; W913-T917 PolarHBondContact O-OG1 3.4Å; W913-T917 VanDerWaalsContact O-OG1 3.06Å; I914-T917 PolarHBondContact O-N 2.93Å; T917-S920 PolarHBondContact O-N 3.48Å; T917-I921 HydrophobicContact CG2-CD1 3.92Å; T917-I921 VanDerWaalsContact O-CG1 3.26Å; T917-I921 WeakPolarHBondContact O-CG1 3.41Å; T917-I921 PolarHBondContact O-N 2.89Å |
| 918 | I | 68.9 | Low | 58.2 | Low | 95 Ų | 95 | 112.2 Ų | 112.2 | 49% | 0.487 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -64.8 | -42 | 176.2 | -70.5 | 172.4 | 0 | 0 | 0 | 110.7 | I914 I921 K922 | I914-I918 HydrophobicContact CG2-CD1 3.57Å; I914-I918 HydrophobicContact CG2-CG1 4.2Å; I914-I918 WeakPolarHBondContact O-CB 3.36Å; I914-I918 VanDerWaalsContact O-CG1 3.27Å; I914-I918 WeakPolarHBondContact O-CG1 3.38Å; I914-I918 PolarHBondContact O-N 2.81Å; I918-I921 PolarHBondContact O-N 2.94Å; I918-K922 WeakPolarHBondContact O-CB 2.95Å; I918-K922 PolarHBondContact O-N 2.67Å |
| 919 | N | 65.3 | Low | 57.8 | Low | 98 Ų | 98 | 111.7 Ų | 111.7 | 52% | 0.524 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -66.3 | -38.9 | 176.6 | -75.3 | -21.7 | 0 | 0 | 0 | 112.2 | S915 K922 E923 | S915-N919 WeakPolarHBondContact O-CB 3.26Å; S915-N919 VanDerWaalsContact O-CG 3.3Å; S915-N919 PolarHBondContact O-N 2.9Å; S915-N919 PolarHBondContact O-ND2 3.32Å; N919-K922 PolarHBondContact O-N 2.82Å; N919-E923 PolarHBondContact O-N 2.95Å |
| 920 | S | 68 | Low | 57.1 | Low | 75 Ų | 75 | 110.7 Ų | 110.7 | 52% | 0.524 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -66.8 | -36.7 | 175.2 | -170.1 | 0 | 0 | 0 | 0 | 112.7 | K916 T917 E923 A924 | K916-S920 WeakPolarHBondContact O-CB 3.45Å; K916-S920 PolarHBondContact O-N 2.9Å; T917-S920 PolarHBondContact O-N 3.48Å; S920-E923 PolarHBondContact O-N 3.09Å; S920-A924 WeakPolarHBondContact O-CB 3.39Å; S920-A924 PolarHBondContact O-N 3.45Å |
| 921 | I | 64.6 | Low | 56.6 | Low | 109 Ų | 109 | 110.1 Ų | 110.1 | 56% | 0.559 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -68.5 | -37.5 | 172.7 | -67.5 | 166.4 | 0 | 0 | 0 | 111 | T917 I918 A924 A925 | T917-I921 HydrophobicContact CG2-CD1 3.92Å; T917-I921 VanDerWaalsContact O-CG1 3.26Å; T917-I921 WeakPolarHBondContact O-CG1 3.41Å; T917-I921 PolarHBondContact O-N 2.89Å; I918-I921 PolarHBondContact O-N 2.94Å; I921-A924 PolarHBondContact O-N 2.9Å; I921-A925 WeakPolarHBondContact O-CB 3.38Å; I921-A925 PolarHBondContact O-N 3.04Å |
| 922 | K | 64.7 | Low | 55.7 | Low | 140 Ų | 140 | 113.7 Ų | 113.7 | 61% | 0.609 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -68 | -33.6 | 176.2 | -128.8 | 176.3 | -176.8 | 177 | 0 | 112.6 | I918 N919 | I918-K922 WeakPolarHBondContact O-CB 2.95Å; I918-K922 PolarHBondContact O-N 2.67Å; N919-K922 PolarHBondContact O-N 2.82Å |
| 923 | E | 58.8 | Low | 54.8 | Low | 146 Ų | 146 | 118.3 Ų | 118.3 | 68% | 0.682 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -74.1 | -37.4 | 172.8 | -78.4 | -176.5 | 154 | 0 | 0 | 112.2 | N919 S920 R926 | N919-E923 PolarHBondContact O-N 2.95Å; S920-E923 PolarHBondContact O-N 3.09Å; E923-R926 PolarHBondContact O-N 2.93Å |
| 924 | A | 58.9 | Low | 53.6 | Low | 74 Ų | 74 | 119 Ų | 119 | 61% | 0.612 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -68.4 | -32.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | S920 I921 R926 | S920-A924 WeakPolarHBondContact O-CB 3.39Å; S920-A924 PolarHBondContact O-N 3.45Å; I921-A924 PolarHBondContact O-N 2.9Å; A924-R926 PolarHBondContact O-N 3.03Å |
| 925 | A | 57.3 | Low | 52.3 | Low | 84 Ų | 84 | 125 Ų | 125 | 69% | 0.694 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | -10.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | I921 | I921-A925 WeakPolarHBondContact O-CB 3.38Å; I921-A925 PolarHBondContact O-N 3.04Å |
| 926 | R | 52.8 | Low | 51.2 | Low | 209 Ų | 209 | 129.6 Ų | 129.6 | 79% | 0.789 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | -0.1 | -178.4 | -86.3 | -179.5 | 167.4 | -179.3 | -4 | 115.1 | E923 A924 | E923-R926 PolarHBondContact O-N 2.93Å; A924-R926 PolarHBondContact O-N 3.03Å |
| 927 | N | 46.6 | Very low | 50.3 | Low | 134 Ų | 134 | 129.1 Ų | 129.1 | 72% | 0.717 | 70% | 0.698 | S | S | * | * | trans | -129.2 | 99.9 | 175 | -80.5 | -29.1 | 0 | 0 | 0 | 111.6 | ||||
| 928 | P | 41.1 | Very low | 48.9 | Very low | 119 Ų | 119 | 133.9 Ų | 133.9 | 77% | 0.773 | 72% | 0.722 | S | S | * | * | trans | -90.1 | 111.2 | 173.8 | 32 | -26 | 0 | 0 | 0 | 110.5 | ||||
| 929 | T | 42.5 | Very low | 47.7 | Very low | 139 Ų | 139 | 134.3 Ų | 134.3 | 85% | 0.853 | 73% | 0.73 | S | S | * | * | trans | -124.3 | 110.9 | 162.1 | 49.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 930 | V | 37.3 | Very low | 46.4 | Very low | 124 Ų | 124 | 133 Ų | 133 | 75% | 0.752 | 74% | 0.741 | S | S | * | * | trans | -86.5 | 141 | 179.5 | 176.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 931 | P | 37.3 | Very low | 44.9 | Very low | 113 Ų | 113 | 141.1 Ų | 141.1 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | -154.1 | 138.8 | 95.6 | 34.1 | -11.4 | 0 | 0 | 0 | 119.1 | |||||
| 932 | N | 35.3 | Very low | 43.9 | Very low | 142 Ų | 142 | 142.8 Ų | 142.8 | 76% | 0.759 | 79% | 0.789 | S | S | * | * | trans | 45.4 | 126.5 | 136.6 | -70.3 | -30.6 | 0 | 0 | 0 | 121.8 | ||||
| 933 | L | 36.7 | Very low | 42.8 | Very low | 169 Ų | 169 | 142.9 Ų | 142.9 | 89% | 0.885 | 80% | 0.799 | S | S | * | * | -178.9 | 119.5 | 109.7 | -92.6 | 152.2 | 0 | 0 | 0 | 113.9 | |||||
| 934 | K | 33.9 | Very low | 41.9 | Very low | 187 Ų | 187 | 142.7 Ų | 142.7 | 81% | 0.813 | 81% | 0.805 | S | S | * | * | trans | -14.9 | 141.1 | 162.9 | -64.5 | 174.5 | 172.8 | -177.4 | 0 | 120.1 | ||||
| 935 | K | 37.6 | Very low | 40.9 | Very low | 213 Ų | 213 | 146.8 Ų | 146.8 | 93% | 0.926 | 82% | 0.817 | S | S | * | * | -161.4 | 128.1 | 124.5 | -108.7 | 174.3 | -175.2 | -179.5 | 0 | 112.4 | |||||
| 936 | D | 37.3 | Very low | 39.9 | Very low | 147 Ų | 147 | 150.7 Ų | 150.7 | 79% | 0.786 | 82% | 0.824 | S | S | * | * | trans | -69.2 | 144.7 | -176.3 | -56 | -73.5 | 0 | 0 | 0 | 114.4 | ||||
| 937 | V | 43.7 | Very low | 39 | Very low | 145 Ų | 145 | 146.8 Ų | 146.8 | 88% | 0.879 | 83% | 0.827 | S | S | * | * | trans | -139.7 | 119.7 | 146.9 | 179.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 938 | N | 37.3 | Very low | 38.5 | Very low | 150 Ų | 150 | 147.7 Ų | 147.7 | 80% | 0.802 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 138.5 | 175.9 | -159.5 | 27.1 | 0 | 0 | 0 | 110.4 | ||
| 939 | P | 45.5 | Very low | 38.3 | Very low | 103 Ų | 103 | 149.9 Ų | 149.9 | 67% | 0.669 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -87.1 | 162.8 | 164.6 | 33.8 | -25.6 | 0 | 0 | 0 | 110.7 | ||
| 940 | G | 38.2 | Very low | 37.9 | Very low | 72 Ų | 72 | 150.8 Ų | 150.8 | 74% | 0.742 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -65 | 155.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 941 | N | 35.4 | Very low | 38 | Very low | 245 Ų | 245 | 153.3 Ų | 153.3 | 100% | 1.31 | 85% | 0.846 | S | S | * | * | trans | 86 | 0 | -177.5 | -69.2 | -12.6 | 0 | 0 | 0 | 117.4 |
Retrieved 941 of 941 residues in 1074 ms
(Link to these results)